trimethyl-(2-oxidanylidene-2-pentatriacontan-18-yloxy-ethyl)azanium chloride

Systemtic Name: trimethyl-(2-oxidanylidene-2-pentatriacontan-18-yloxy-ethyl)azanium chloride Openeye Name: [2-(1-heptadecyloctadecoxy)-2-oxo-ethyl]-trimethyl-ammonium chloride CAS Name: trimethyl-(2-oxo-2-pentatriacontan-18-yloxyethyl)ammonium chloride IUPAC Name: trimethyl-(2-oxo-2-pentatriacontan-18-yloxyethyl)azanium chloride Traditional Name: [2-(1-heptadecyloctadecoxy)-2-keto-ethyl]-trimethyl-ammonium chloride Formula: C40H82ClNO2 MolecularWeight: 644.53758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OC(=O)C[N+](C)(C)C.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(CCCCCCCCCCCCCCCCC)OC(=O)C[N+](C)(C)C.[Cl-]

InChI

InChI=1S/C40H82NO2.ClH/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-39(43-40(42)38-41(3,4)5)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h39H,6-38H2,1-5H3;1H/q+1;/p-1