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

Systemtic Name: dimethyl-(7-oxidanyl-9-phenyl-nonyl)-(4-sulfobutyl)azanium Openeye Name: (7-hydroxy-9-phenyl-nonyl)-dimethyl-(4-sulfobutyl)ammonium CAS Name: (7-hydroxy-9-phenylnonyl)-dimethyl-(4-sulfobutyl)ammonium IUPAC Name: (7-hydroxy-9-phenylnonyl)-dimethyl-(4-sulfobutyl)azanium Traditional Name: (7-hydroxy-9-phenyl-nonyl)-dimethyl-(4-sulfobutyl)ammonium Formula: C21H38NO4S+ MolecularWeight: 400.59572

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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/p+1