4-[dimethyl(9-phenylnonyl)azaniumyl]-2-oxidanyl-butane-1-sulfonate

Systemtic Name: 4-[dimethyl(9-phenylnonyl)azaniumyl]-2-oxidanyl-butane-1-sulfonate Openeye Name: 4-[dimethyl(9-phenylnonyl)ammonio]-2-hydroxy-butane-1-sulfonate CAS Name: 4-[dimethyl(9-phenylnonyl)ammonio]-2-hydroxy-1-butanesulfonate IUPAC Name: 4-[dimethyl(9-phenylnonyl)azaniumyl]-2-hydroxybutane-1-sulfonate Traditional Name: 4-[dimethyl(9-phenylnonyl)ammonio]-2-hydroxy-butane-1-sulfonate Formula: C21H37NO4S MolecularWeight: 399.58778

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCCCCC1=CC=CC=C1)CCC(CS(=O)(=O)[O-])O

Isomeric SMILES

C[N+](C)(CCCCCCCCCC1=CC=CC=C1)CCC(CS(=O)(=O)[O-])O

InChI

InChI=1S/C21H37NO4S/c1-22(2,18-16-21(23)19-27(24,25)26)17-12-7-5-3-4-6-9-13-20-14-10-8-11-15-20/h8,10-11,14-15,21,23H,3-7,9,12-13,16-19H2,1-2H3