dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-5-sulfo-pentan-2-yl)-octadecan-2-yl-azanium

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-5-sulfo-pentan-2-yl)-octadecan-2-yl-azanium Openeye Name: (1-carboxy-1-methyl-4-sulfo-butyl)-dimethyl-(1-methylheptadecyl)ammonium CAS Name: (1-hydroxy-2-methyl-1-oxo-5-sulfopentan-2-yl)-dimethyl-octadecan-2-ylammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxo-5-sulfopentan-2-yl)-dimethyl-octadecan-2-ylazanium Traditional Name: (1-carboxy-1-methyl-4-sulfo-butyl)-dimethyl-(1-methylheptadecyl)ammonium Formula: C26H54NO5S+ MolecularWeight: 492.77566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CCCS(=O)(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CCCS(=O)(=O)O)C(=O)O

InChI

InChI=1S/C26H53NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21-24(2)27(4,5)26(3,25(28)29)22-20-23-33(30,31)32/h24H,6-23H2,1-5H3,(H-,28,29,30,31,32)/p+1