hexadecyl-dimethyl-(4-methyl-3-oxidanylidene-pent-4-en-2-yl)azanium chloride

Systemtic Name: hexadecyl-dimethyl-(4-methyl-3-oxidanylidene-pent-4-en-2-yl)azanium chloride Openeye Name: (1,3-dimethyl-2-oxo-but-3-enyl)-hexadecyl-dimethyl-ammonium chloride CAS Name: hexadecyl-dimethyl-(4-methyl-3-oxopent-4-en-2-yl)ammonium chloride IUPAC Name: hexadecyl-dimethyl-(4-methyl-3-oxopent-4-en-2-yl)azanium chloride Traditional Name: cetyl-(2-keto-1,3-dimethyl-but-3-enyl)-dimethyl-ammonium chloride Formula: C24H48ClNO MolecularWeight: 402.09702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H48NO.ClH/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(5,6)23(4)24(26)22(2)3;/h23H,2,7-21H2,1,3-6H3;1H/q+1;/p-1