2-[icosan-2-yl(dimethyl)azaniumyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-[icosan-2-yl(dimethyl)azaniumyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-[dimethyl(1-methylnonadecyl)ammonio]-4-hydroxy-2-methyl-4-oxo-butanoate CAS Name: 2-[eicosan-2-yl(dimethyl)ammonio]-4-hydroxy-2-methyl-4-oxobutanoate IUPAC Name: 4-hydroxy-2-[icosan-2-yl(dimethyl)azaniumyl]-2-methyl-4-oxobutanoate Traditional Name: 2-[dimethyl(1-methylnonadecyl)ammonio]-4-hydroxy-4-keto-2-methyl-butyrate Formula: C27H53NO4 MolecularWeight: 455.71402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C27H53NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24(2)28(4,5)27(3,26(31)32)23-25(29)30/h24H,6-23H2,1-5H3,(H-,29,30,31,32)