dimethyl-(2-octadecanoyloxyethyl)-(1-phenyltridecyl)azanium chloride

Systemtic Name: dimethyl-(2-octadecanoyloxyethyl)-(1-phenyltridecyl)azanium chloride Openeye Name: dimethyl-(2-octadecanoyloxyethyl)-(1-phenyltridecyl)ammonium chloride CAS Name: dimethyl-[2-(1-oxooctadecoxy)ethyl]-(1-phenyltridecyl)ammonium chloride IUPAC Name: dimethyl-(2-octadecanoyloxyethyl)-(1-phenyltridecyl)azanium chloride Traditional Name: dimethyl-(1-phenyltridecyl)-(2-stearoyloxyethyl)ammonium chloride Formula: C41H76ClNO2 MolecularWeight: 650.50064

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C(CCCCCCCCCCCC)C1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C(CCCCCCCCCCCC)C1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C41H76NO2.ClH/c1-5-7-9-11-13-15-17-18-19-20-21-23-25-27-32-36-41(43)44-38-37-42(3,4)40(39-33-29-28-30-34-39)35-31-26-24-22-16-14-12-10-8-6-2;/h28-30,33-34,40H,5-27,31-32,35-38H2,1-4H3;1H/q+1;/p-1