2-[dimethyl(tetradecan-2-yl)azaniumyl]-2-methyl-4-sulfo-butanoate

Systemtic Name: 2-[dimethyl(tetradecan-2-yl)azaniumyl]-2-methyl-4-sulfo-butanoate Openeye Name: 2-[dimethyl(1-methyltridecyl)ammonio]-2-methyl-4-sulfo-butanoate CAS Name: 2-[dimethyl(tetradecan-2-yl)ammonio]-2-methyl-4-sulfobutanoate IUPAC Name: 2-[dimethyl(tetradecan-2-yl)azaniumyl]-2-methyl-4-sulfobutanoate Traditional Name: 2-[dimethyl(1-methyltridecyl)ammonio]-2-methyl-4-sulfo-butyrate Formula: C21H43NO5S MolecularWeight: 421.63482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CCS(=O)(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CCS(=O)(=O)O)C(=O)[O-]

InChI

InChI=1S/C21H43NO5S/c1-6-7-8-9-10-11-12-13-14-15-16-19(2)22(4,5)21(3,20(23)24)17-18-28(25,26)27/h19H,6-18H2,1-5H3,(H-,23,24,25,26,27)