dimethyl-(phenylmethyl)-tetradecyl-azanium; methyl sulfate

Systemtic Name: dimethyl-(phenylmethyl)-tetradecyl-azanium; methyl sulfate Openeye Name: benzyl-dimethyl-tetradecyl-ammonium; methyl sulfate CAS Name: dimethyl-(phenylmethyl)-tetradecylammonium; methyl sulfate IUPAC Name: benzyl-dimethyl-tetradecylazanium; methyl sulfate Traditional Name: benzyl-dimethyl-myristyl-ammonium; methyl sulfate Formula: C24H45NO4S MolecularWeight: 443.6834

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.COS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCC[N+](C)(C)CC1=CC=CC=C1.COS(=O)(=O)[O-]

InChI

InChI=1S/C23H42N.CH4O4S/c1-4-5-6-7-8-9-10-11-12-13-14-18-21-24(2,3)22-23-19-16-15-17-20-23;1-5-6(2,3)4/h15-17,19-20H,4-14,18,21-22H2,1-3H3;1H3,(H,2,3,4)/q+1;/p-1