4-[dimethyl-(7-oxidanyl-9-phenyl-nonyl)azaniumyl]butane-1-sulfonate

Systemtic Name: 4-[dimethyl-(7-oxidanyl-9-phenyl-nonyl)azaniumyl]butane-1-sulfonate Openeye Name: 4-[(7-hydroxy-9-phenyl-nonyl)-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[(7-hydroxy-9-phenylnonyl)-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[(7-hydroxy-9-phenylnonyl)-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[(7-hydroxy-9-phenyl-nonyl)-dimethyl-ammonio]butane-1-sulfonate Formula: C21H37NO4S MolecularWeight: 399.58778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(CCCCCCC(CCC1=CC=CC=C1)O)CCCCS(=O)(=O)[O-]

Isomeric SMILES

C[N+](C)(CCCCCCC(CCC1=CC=CC=C1)O)CCCCS(=O)(=O)[O-]

InChI

InChI=1S/C21H37NO4S/c1-22(2,18-10-11-19-27(24,25)26)17-9-4-3-8-14-21(23)16-15-20-12-6-5-7-13-20/h5-7,12-13,21,23H,3-4,8-11,14-19H2,1-2H3