dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-(2-oxidanyl-1-sulfo-hexadecan-4-yl)azanium

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)-(2-oxidanyl-1-sulfo-hexadecan-4-yl)azanium Openeye Name: (2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-[1-(2-hydroxy-3-sulfo-propyl)tridecyl]-dimethyl-ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-(2-hydroxy-1-sulfohexadecan-4-yl)-dimethylammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-(2-hydroxy-1-sulfohexadecan-4-yl)-dimethylazanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-[1-(2-hydroxy-3-sulfo-propyl)tridecyl]-dimethyl-ammonium Formula: C22H46NO6S+ MolecularWeight: 452.66874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CC(CS(=O)(=O)O)O)[N+](C)(C)C(C)(C)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CC(CS(=O)(=O)O)O)[N+](C)(C)C(C)(C)C(=O)O

InChI

InChI=1S/C22H45NO6S/c1-6-7-8-9-10-11-12-13-14-15-16-19(17-20(24)18-30(27,28)29)23(4,5)22(2,3)21(25)26/h19-20,24H,6-18H2,1-5H3,(H-,25,26,27,28,29)/p+1