3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]octadecanoate hydrochloride

Systemtic Name: 3-oxidanylidene-2-[1-oxidanyl-2-(trimethylazaniumyl)ethyl]octadecanoate hydrochloride Openeye Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxo-octadecanoate hydrochloride CAS Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-oxooctadecanoate hydrochloride IUPAC Name: 2-[1-hydroxy-2-(trimethylazaniumyl)ethyl]-3-oxooctadecanoate hydrochloride Traditional Name: 2-[1-hydroxy-2-(trimethylammonio)ethyl]-3-keto-stearate hydrochloride Formula: C23H46ClNO4 MolecularWeight: 436.06864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-20(25)22(23(27)28)21(26)19-24(2,3)4;/h21-22,26H,5-19H2,1-4H3;1H