(7-acetyloxy-9-phenyl-nonyl)-dimethyl-(4-sulfobutyl)azanium

Systemtic Name: (7-acetyloxy-9-phenyl-nonyl)-dimethyl-(4-sulfobutyl)azanium Openeye Name: (7-acetoxy-9-phenyl-nonyl)-dimethyl-(4-sulfobutyl)ammonium CAS Name: (7-acetyloxy-9-phenylnonyl)-dimethyl-(4-sulfobutyl)ammonium IUPAC Name: (7-acetyloxy-9-phenylnonyl)-dimethyl-(4-sulfobutyl)azanium Traditional Name: (7-acetoxy-9-phenyl-nonyl)-dimethyl-(4-sulfobutyl)ammonium Formula: C23H40NO5S+ MolecularWeight: 442.6324

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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/p+1