(E)-1-(1-methylimidazol-1-ium-1-yl)octadec-9-en-1-one chloride

Systemtic Name: (E)-1-(1-methylimidazol-1-ium-1-yl)octadec-9-en-1-one chloride Openeye Name: (E)-1-(1-methylimidazol-1-ium-1-yl)octadec-9-en-1-one chloride CAS Name: (E)-1-(1-methyl-1-imidazol-1-iumyl)-9-octadecen-1-one chloride IUPAC Name: (E)-1-(1-methylimidazol-1-ium-1-yl)octadec-9-en-1-one chloride Traditional Name: (E)-1-(1-methylimidazol-1-ium-1-yl)octadec-9-en-1-one chloride Formula: C22H39ClN2O MolecularWeight: 383.01086

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[N+]1(C=CN=C1)C.[Cl-]

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[N+]1(C=CN=C1)C.[Cl-]

InChI

InChI=1S/C22H39N2O.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)24(2)20-19-23-21-24;/h10-11,19-21H,3-9,12-18H2,1-2H3;1H/q+1;/p-1/b11-10+;