dimethyl-(3-oxidanyl-4-sulfo-butyl)-(9-phenylnonyl)azanium

Systemtic Name: dimethyl-(3-oxidanyl-4-sulfo-butyl)-(9-phenylnonyl)azanium Openeye Name: (3-hydroxy-4-sulfo-butyl)-dimethyl-(9-phenylnonyl)ammonium CAS Name: (3-hydroxy-4-sulfobutyl)-dimethyl-(9-phenylnonyl)ammonium IUPAC Name: (3-hydroxy-4-sulfobutyl)-dimethyl-(9-phenylnonyl)azanium Traditional Name: (3-hydroxy-4-sulfo-butyl)-dimethyl-(9-phenylnonyl)ammonium Formula: C21H38NO4S+ MolecularWeight: 400.59572

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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/p+1