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

Systemtic Name: dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-5-sulfo-pentan-2-yl)-tetradecan-2-yl-azanium Openeye Name: (1-carboxy-1-methyl-4-sulfo-butyl)-dimethyl-(1-methyltridecyl)ammonium CAS Name: (1-hydroxy-2-methyl-1-oxo-5-sulfopentan-2-yl)-dimethyl-tetradecan-2-ylammonium IUPAC Name: (1-hydroxy-2-methyl-1-oxo-5-sulfopentan-2-yl)-dimethyl-tetradecan-2-ylazanium Traditional Name: (1-carboxy-1-methyl-4-sulfo-butyl)-dimethyl-(1-methyltridecyl)ammonium Formula: C22H46NO5S+ MolecularWeight: 436.66934

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H45NO5S/c1-6-7-8-9-10-11-12-13-14-15-17-20(2)23(4,5)22(3,21(24)25)18-16-19-29(26,27)28/h20H,6-19H2,1-5H3,(H-,24,25,26,27,28)/p+1