2-[dimethyl(tetradecan-2-yl)azaniumyl]-2,3-dimethyl-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-[dimethyl(tetradecan-2-yl)azaniumyl]-2,3-dimethyl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-[dimethyl(1-methyltridecyl)ammonio]-4-hydroxy-2,3-dimethyl-4-oxo-butanoate CAS Name: 2-[dimethyl(tetradecan-2-yl)ammonio]-4-hydroxy-2,3-dimethyl-4-oxobutanoate IUPAC Name: 2-[dimethyl(tetradecan-2-yl)azaniumyl]-4-hydroxy-2,3-dimethyl-4-oxobutanoate Traditional Name: 2-[dimethyl(1-methyltridecyl)ammonio]-4-hydroxy-4-keto-2,3-dimethyl-butyrate Formula: C22H43NO4 MolecularWeight: 385.58112

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H43NO4/c1-7-8-9-10-11-12-13-14-15-16-17-18(2)23(5,6)22(4,21(26)27)19(3)20(24)25/h18-19H,7-17H2,1-6H3,(H-,24,25,26,27)