4-(2-hexadecylicosanoyloxy)-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-olate

Systemtic Name: 4-(2-hexadecylicosanoyloxy)-4-oxidanylidene-1-(trimethylazaniumyl)butan-2-olate Openeye Name: 4-(2-hexadecylicosanoyloxy)-4-oxo-1-(trimethylammonio)butan-2-olate CAS Name: 4-(2-hexadecyl-1-oxoeicosoxy)-4-oxo-1-(trimethylammonio)-2-butanolate IUPAC Name: 4-(2-hexadecylicosanoyloxy)-4-oxo-1-(trimethylazaniumyl)butan-2-olate Traditional Name: 4-(2-cetyleicosanoyloxy)-4-keto-1-(trimethylammonio)butan-2-olate Formula: C43H85NO4 MolecularWeight: 680.1393

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C43H85NO4/c1-6-8-10-12-14-16-18-20-22-23-25-27-29-31-33-35-37-40(43(47)48-42(46)38-41(45)39-44(3,4)5)36-34-32-30-28-26-24-21-19-17-15-13-11-9-7-2/h40-41H,6-39H2,1-5H3