[1-(dimethylamino)-2-(sulfomethyl)hexadecyl]-hexadecyl-dimethyl-azanium

Systemtic Name: [1-(dimethylamino)-2-(sulfomethyl)hexadecyl]-hexadecyl-dimethyl-azanium Openeye Name: [1-(dimethylamino)-2-(sulfomethyl)hexadecyl]-hexadecyl-dimethyl-ammonium CAS Name: [1-(dimethylamino)-2-(sulfomethyl)hexadecyl]-hexadecyl-dimethylammonium IUPAC Name: [1-(dimethylamino)-2-(sulfomethyl)hexadecyl]-hexadecyl-dimethylazanium Traditional Name: cetyl-[1-(dimethylamino)-2-(sulfomethyl)hexadecyl]-dimethyl-ammonium Formula: C37H79N2O3S+ MolecularWeight: 632.09976

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(C(CCCCCCCCCCCCCC)CS(=O)(=O)O)N(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(C(CCCCCCCCCCCCCC)CS(=O)(=O)O)N(C)C

InChI

InChI=1S/C37H78N2O3S/c1-7-9-11-13-15-17-19-21-22-24-26-28-30-32-34-39(5,6)37(38(3)4)36(35-43(40,41)42)33-31-29-27-25-23-20-18-16-14-12-10-8-2/h36-37H,7-35H2,1-6H3/p+1