Ammonium, diethylmethyl(3-(10-phenothiazinyl)propyl)-, iodide

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Basic information

CAS: 77967-10-3
Standard SMILES: CC[N+](C)(CC)CCCN1c2ccccc2Sc2ccccc21.[I-]
InChIKey: ULGHUSZPWKKREX-UHFFFAOYSA-M
Molecular formula: C20H27IN2S
Average molar mass: 454.4 g/mol
Monoisotopic mass: 454.09397

Names & identifiers

Preferred name: Ammonium, diethylmethyl(3-(10-phenothiazinyl)propyl)-, iodide
IUPAC: diethyl-methyl-(3-phenothiazin-10-ylpropyl)azanium iodide

Names & synonyms

77967-10-3AMMONIUM, DIETHYLMETHYL(3-(10-PHENOTHIAZINYL)PROPYL)-, IODIDERefChem:1076873Diethylmethyl(3-(10-phenothiazinyl)propyl)ammonium iodideN-(gamma-Diethylamino-n-propyl)-phenothiazine-metho-iodidePhenothiazine, 10-(3-(diethylamino)propyl)-, methyliodide10H-Phenothiazine-10-propanaminium, N,N-diethyl-N-methyl-, iodideDTXSID00999203N,N-diethyl-N-methyl-3-(10H-phenothiazin-10-yl)propan-1-aminium iodide

Database identifiers

CAS: 77967-10-3
PubChem CID: 53983
DTXSID: DTXSID00999203

Properties

Computed structural properties

Topological polar surface area: 28.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 24
Formal charge: 0
Complexity: 347

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Compound notes

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