4-[hexadecyl-(2-hydroxyethyl)-methyl-azaniumyl]-3-oxidanyl-butane-1-sulfonate

Systemtic Name: 4-[hexadecyl-(2-hydroxyethyl)-methyl-azaniumyl]-3-oxidanyl-butane-1-sulfonate Openeye Name: 4-[hexadecyl-(2-hydroxyethyl)-methyl-ammonio]-3-hydroxy-butane-1-sulfonate CAS Name: 4-[hexadecyl-(2-hydroxyethyl)-methylammonio]-3-hydroxy-1-butanesulfonate IUPAC Name: 4-[hexadecyl-(2-hydroxyethyl)-methylazaniumyl]-3-hydroxybutane-1-sulfonate Traditional Name: 4-[cetyl-(2-hydroxyethyl)-methyl-ammonio]-3-hydroxy-butane-1-sulfonate Formula: C23H49NO5S MolecularWeight: 451.70386

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(CCO)CC(CCS(=O)(=O)[O-])O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(CCO)CC(CCS(=O)(=O)[O-])O

InChI

InChI=1S/C23H49NO5S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-18-24(2,19-20-25)22-23(26)17-21-30(27,28)29/h23,25-26H,3-22H2,1-2H3