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

Systemtic Name: 2-[dimethyl(octadecan-2-yl)azaniumyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-[dimethyl(1-methylheptadecyl)ammonio]-4-hydroxy-2-methyl-4-oxo-butanoate CAS Name: 2-[dimethyl(octadecan-2-yl)ammonio]-4-hydroxy-2-methyl-4-oxobutanoate IUPAC Name: 2-[dimethyl(octadecan-2-yl)azaniumyl]-4-hydroxy-2-methyl-4-oxobutanoate Traditional Name: 2-[dimethyl(1-methylheptadecyl)ammonio]-4-hydroxy-4-keto-2-methyl-butyrate Formula: C25H49NO4 MolecularWeight: 427.66086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49NO4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-22(2)26(4,5)25(3,24(29)30)21-23(27)28/h22H,6-21H2,1-5H3,(H-,27,28,29,30)