2-[(1-azanyl-4-methyl-5-oxidanylidene-hexadecan-4-yl)-dimethyl-azaniumyl]-2-methyl-3-oxidanyl-3-oxidanylidene-propanoate

Systemtic Name: 2-[(1-azanyl-4-methyl-5-oxidanylidene-hexadecan-4-yl)-dimethyl-azaniumyl]-2-methyl-3-oxidanyl-3-oxidanylidene-propanoate Openeye Name: 2-[[1-(3-aminopropyl)-1-methyl-2-oxo-tridecyl]-dimethyl-ammonio]-3-hydroxy-2-methyl-3-oxo-propanoate CAS Name: 2-[(1-amino-4-methyl-5-oxohexadecan-4-yl)-dimethylammonio]-3-hydroxy-2-methyl-3-oxopropanoate IUPAC Name: 2-[(1-amino-4-methyl-5-oxohexadecan-4-yl)-dimethylazaniumyl]-3-hydroxy-2-methyl-3-oxopropanoate Traditional Name: 2-[[1-(3-aminopropyl)-2-keto-1-methyl-tridecyl]-dimethyl-ammonio]-3-hydroxy-3-keto-2-methyl-propionate Formula: C23H44N2O5 MolecularWeight: 428.60586

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)C(C)(CCCN)[N+](C)(C)C(C)(C(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC(=O)C(C)(CCCN)[N+](C)(C)C(C)(C(=O)O)C(=O)[O-]

InChI

InChI=1S/C23H44N2O5/c1-6-7-8-9-10-11-12-13-14-16-19(26)22(2,17-15-18-24)25(4,5)23(3,20(27)28)21(29)30/h6-18,24H2,1-5H3,(H-,27,28,29,30)