2-[2-chloranyl-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-octadecanoate

Systemtic Name: 2-[2-chloranyl-2-(trimethylazaniumyl)ethyl]-3-oxidanylidene-octadecanoate Openeye Name: 2-[2-chloro-2-(trimethylammonio)ethyl]-3-oxo-octadecanoate CAS Name: 2-[2-chloro-2-(trimethylammonio)ethyl]-3-oxooctadecanoate IUPAC Name: 2-[2-chloro-2-(trimethylazaniumyl)ethyl]-3-oxooctadecanoate Traditional Name: 2-[2-chloro-2-(trimethylammonio)ethyl]-3-keto-stearate Formula: C23H44ClNO3 MolecularWeight: 418.05336

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H44ClNO3/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(26)20(23(27)28)19-22(24)25(2,3)4/h20,22H,5-19H2,1-4H3