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

Systemtic Name: 4-[(7-acetyloxy-9-phenyl-nonyl)-dimethyl-azaniumyl]butane-1-sulfonate Openeye Name: 4-[(7-acetoxy-9-phenyl-nonyl)-dimethyl-ammonio]butane-1-sulfonate CAS Name: 4-[(7-acetyloxy-9-phenylnonyl)-dimethylammonio]-1-butanesulfonate IUPAC Name: 4-[(7-acetyloxy-9-phenylnonyl)-dimethylazaniumyl]butane-1-sulfonate Traditional Name: 4-[(7-acetoxy-9-phenyl-nonyl)-dimethyl-ammonio]butane-1-sulfonate Formula: C23H39NO5S MolecularWeight: 441.62446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H39NO5S/c1-21(25)29-23(17-16-22-13-7-6-8-14-22)15-9-4-5-10-18-24(2,3)19-11-12-20-30(26,27)28/h6-8,13-14,23H,4-5,9-12,15-20H2,1-3H3