icosan-5-yl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium

Systemtic Name: icosan-5-yl-dimethyl-(2-oxidanyl-3-sulfo-propyl)azanium Openeye Name: 1-butylhexadecyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium CAS Name: eicosan-5-yl-(2-hydroxy-3-sulfopropyl)-dimethylammonium IUPAC Name: (2-hydroxy-3-sulfopropyl)-icosan-5-yl-dimethylazanium Traditional Name: 1-butylhexadecyl-(2-hydroxy-3-sulfo-propyl)-dimethyl-ammonium Formula: C25H54NO4S+ MolecularWeight: 464.76556

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(CCCC)[N+](C)(C)CC(CS(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC(CCCC)[N+](C)(C)CC(CS(=O)(=O)O)O

InChI

InChI=1S/C25H53NO4S/c1-5-7-9-10-11-12-13-14-15-16-17-18-19-21-24(20-8-6-2)26(3,4)22-25(27)23-31(28,29)30/h24-25,27H,5-23H2,1-4H3/p+1