hexadecyl-dimethyl-(1-sulfopropan-2-yl)azanium

Systemtic Name: hexadecyl-dimethyl-(1-sulfopropan-2-yl)azanium Openeye Name: hexadecyl-dimethyl-(1-methyl-2-sulfo-ethyl)ammonium CAS Name: hexadecyl-dimethyl-(1-sulfopropan-2-yl)ammonium IUPAC Name: hexadecyl-dimethyl-(1-sulfopropan-2-yl)azanium Traditional Name: cetyl-dimethyl-(1-methyl-2-sulfo-ethyl)ammonium Formula: C21H46NO3S+ MolecularWeight: 392.65984

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H45NO3S/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(3,4)21(2)20-26(23,24)25/h21H,5-20H2,1-4H3/p+1