hexadecyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium

Systemtic Name: hexadecyl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: hexadecyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium CAS Name: hexadecyl-(2-hydroxy-3-sulfopropyl)-dimethylammonium IUPAC Name: hexadecyl-(2-hydroxy-3-sulfopropyl)-dimethylazanium Traditional Name: cetyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium Formula: C21H46NO4S+ MolecularWeight: 408.65924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45NO4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(2,3)19-21(23)20-27(24,25)26/h21,23H,4-20H2,1-3H3/p+1