5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-3H-indol-1-ium methyl sulfate

HCID 57354571

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Basic information

CAS: 85294-28-6
Standard SMILES: COS(=O)(=O)[O-].COc1ccc2c(c1)C(C)(C)C(C=Cc1c(-c3ccccc3)n(C)c3ccccc13)=[N+]2C
InChIKey: GGTWTLWITILSJS-UHFFFAOYSA-M
Molecular formula: C30H32N2O5S
Average molar mass: 532.7 g/mol
Monoisotopic mass: 532.2031933

Names & identifiers

Preferred name: 5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-3H-indol-1-ium methyl sulfate
IUPAC: 5-methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenylindol-3-yl)ethenyl]indol-1-ium;methyl sulfate

Names & synonyms

GGTWTLWITILSJS-UHFFFAOYSA-MDTXSID1010057815-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethen-1-yl]-3H-indol-1-ium methyl sulfate5-Methoxy-1,3,3-trimethyl-2-[2-(1-methyl-2-phenyl-1H-indol-3-yl)ethenyl]-3H-indol-1-ium methyl sulfate

Database identifiers

CAS: 85294-28-6
PubChem CID: 57354571
DTXSID: DTXSID101005781

Properties

Computed structural properties

Topological polar surface area: 92 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 38
Formal charge: 0
Complexity: 824

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