3-[dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azaniumyl]propyl-dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azanium;tetraiodide

HCID 6440331

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Basic information

CAS: 197770-98-2
Standard SMILES: CN1/C(=C\c2cc[n+](CCCC[N+](C)(C)CCC[N+](C)(C)CCCC[n+]3ccc(/C=C4/Sc5ccccc5N4C)c4ccccc43)c3ccccc23)Sc2ccccc21.[I-].[I-].[I-].[I-]
InChIKey: CMGASOOPLYVBEQ-BLGDTVLXSA-J
Molecular formula: C51H62I4N6S2
Average molar mass: 1,330.8 g/mol
Monoisotopic mass: 1,330.0656

Names & identifiers

Preferred name: 3-[dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azaniumyl]propyl-dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azanium;tetraiodide
IUPAC: 3-[dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azaniumyl]propyl-dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azanium tetraiodide
English name: 3-[dimethyl-[4-[4-[(E)-(3-methylbenzothiazol-2-ylidene)methyl]quinolin -1-yl]butyl]ammonio]propyl-dimethyl-[4-[4-[(E)-(3-methylbenzothiazol-2 -ylidene)methyl]quinolin-1-yl]butyl]azanium tetraiodide
Molecular formula: C51H62I4N6S2
Molecular weight: 0

Names & synonyms

197770-98-23-[dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azaniumyl]propyl-dimethyl-[4-[4-[(E)-(3-methyl-1,3-benzothiazol-2-ylidene)methyl]quinolin-1-ium-1-yl]butyl]azanium;tetraiodideQuinolinium, 1,1'-(1,3-propanediylbis((dimethyliminio)-4,1-butanediyl))bis(4-((3-methyl-2(3H)-benzothiazolylidene)methyl)-, tetraiodide3-[dimethyl-[4-[4-[(E)-(3-methylbenzothiazol-2-ylidene)methyl]quinolin -1-yl]butyl]ammonio]propyl-dimethyl-[4-[4-[(E)-(3-methylbenzothiazol-2 -ylidene)methyl]quinolin-1-yl]butyl]azanium tetraiodide

Database identifiers

CAS: 197770-98-2
PubChem CID: 6440331

Properties

Computed structural properties

Topological polar surface area: 64.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 8
Rotatable bonds: 16
Heavy atoms: 63
Formal charge: 0
Complexity: 1,300

Chemistry & industry

Suppliers1 total

HONEST JOY HOLDINGS LIMITED[email protected]

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