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

Systemtic Name: 2-[dimethyl(tetradecan-2-yl)azaniumyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-[dimethyl(1-methyltridecyl)ammonio]-4-hydroxy-2-methyl-4-oxo-butanoate CAS Name: 2-[dimethyl(tetradecan-2-yl)ammonio]-4-hydroxy-2-methyl-4-oxobutanoate IUPAC Name: 2-[dimethyl(tetradecan-2-yl)azaniumyl]-4-hydroxy-2-methyl-4-oxobutanoate Traditional Name: 2-[dimethyl(1-methyltridecyl)ammonio]-4-hydroxy-4-keto-2-methyl-butyrate Formula: C21H41NO4 MolecularWeight: 371.55454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H41NO4/c1-6-7-8-9-10-11-12-13-14-15-16-18(2)22(4,5)21(3,20(25)26)17-19(23)24/h18H,6-17H2,1-5H3,(H-,23,24,25,26)