[dimethylazaniumylidene(sulfanyl)methyl]-[(4-dodecylphenyl)methyl]-dimethyl-azanium chloride

Systemtic Name: [dimethylazaniumylidene(sulfanyl)methyl]-[(4-dodecylphenyl)methyl]-dimethyl-azanium chloride Openeye Name: [dimethyliminio(sulfanyl)methyl]-[(4-dodecylphenyl)methyl]-dimethyl-ammonium chloride CAS Name: [dimethyliminio(mercapto)methyl]-[(4-dodecylphenyl)methyl]-dimethylammonium chloride IUPAC Name: [dimethylazaniumylidene(sulfanyl)methyl]-[(4-dodecylphenyl)methyl]-dimethylazanium chloride Traditional Name: [dimethyliminio(mercapto)methyl]-(4-laurylbenzyl)-dimethyl-ammonium chloride Formula: C24H44ClN2S+ MolecularWeight: 428.13756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C[N+](C)(C)C(=[N+](C)C)S.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C[N+](C)(C)C(=[N+](C)C)S.[Cl-]

InChI

InChI=1S/C24H43N2S.ClH/c1-6-7-8-9-10-11-12-13-14-15-16-22-17-19-23(20-18-22)21-26(4,5)24(27)25(2)3;/h17-20H,6-16,21H2,1-5H3;1H/q+1;