dimethyl-(2-oxidanyl-3-sulfo-propyl)-(1-phenylundecyl)azanium

Systemtic Name: dimethyl-(2-oxidanyl-3-sulfo-propyl)-(1-phenylundecyl)azanium Openeye Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-(1-phenylundecyl)ammonium CAS Name: (2-hydroxy-3-sulfopropyl)-dimethyl-(1-phenylundecyl)ammonium IUPAC Name: (2-hydroxy-3-sulfopropyl)-dimethyl-(1-phenylundecyl)azanium Traditional Name: (2-hydroxy-3-sulfo-propyl)-dimethyl-(1-phenylundecyl)ammonium Formula: C22H40NO4S+ MolecularWeight: 414.6223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)CC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCC(C1=CC=CC=C1)[N+](C)(C)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C22H39NO4S/c1-4-5-6-7-8-9-10-14-17-22(20-15-12-11-13-16-20)23(2,3)18-21(24)19-28(25,26)27/h11-13,15-16,21-22,24H,4-10,14,17-19H2,1-3H3/p+1