3-[hexadecan-7-yl(dimethyl)azaniumyl]propane-1-sulfonate

Systemtic Name: 3-[hexadecan-7-yl(dimethyl)azaniumyl]propane-1-sulfonate Openeye Name: 3-[1-hexyldecyl(dimethyl)ammonio]propane-1-sulfonate CAS Name: 3-[hexadecan-7-yl(dimethyl)ammonio]-1-propanesulfonate IUPAC Name: 3-[hexadecan-7-yl(dimethyl)azaniumyl]propane-1-sulfonate Traditional Name: 3-[1-hexyldecyl(dimethyl)ammonio]propane-1-sulfonate Formula: C21H45NO3S MolecularWeight: 391.6519

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC)[N+](C)(C)CCCS(=O)(=O)[O-]

Isomeric SMILES

CCCCCCCCCC(CCCCCC)[N+](C)(C)CCCS(=O)(=O)[O-]

InChI

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