1,2-diphenylethane-1,2-dione; hexadecyl(dimethyl)azanium; chloride

Systemtic Name: 1,2-diphenylethane-1,2-dione; hexadecyl(dimethyl)azanium; chloride Openeye Name: 1,2-diphenylethane-1,2-dione; hexadecyl(dimethyl)ammonium; chloride CAS Name: 1,2-diphenylethane-1,2-dione; hexadecyl(dimethyl)ammonium; chloride IUPAC Name: 1,2-diphenylethane-1,2-dione; hexadecyl(dimethyl)azanium; chloride Traditional Name: benzil; cetyl(dimethyl)ammonium; chloride Formula: C32H50ClNO2 MolecularWeight: 516.1979

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](C)C.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](C)C.C1=CC=C(C=C1)C(=O)C(=O)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C18H39N.C14H10O2.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;15-13(11-7-3-1-4-8-11)14(16)12-9-5-2-6-10-12;/h4-18H2,1-3H3;1-10H;1H