(3Z,5E)-1-ethyl-3,5-bis(phenylmethylidene)piperidin-1-ium-4-one chloride

Systemtic Name: (3Z,5E)-1-ethyl-3,5-bis(phenylmethylidene)piperidin-1-ium-4-one chloride Openeye Name: (3Z,5E)-3,5-dibenzylidene-1-ethyl-piperidin-1-ium-4-one chloride CAS Name: (3Z,5E)-1-ethyl-3,5-bis(phenylmethylene)-4-piperidin-1-iumone chloride IUPAC Name: (3Z,5E)-3,5-dibenzylidene-1-ethylpiperidin-1-ium-4-one chloride Traditional Name: (3Z,5E)-3,5-dibenzal-1-ethyl-piperidin-1-ium-4-one chloride Formula: C21H22ClNO MolecularWeight: 339.85848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CC(=CC2=CC=CC=C2)C(=O)C(=CC3=CC=CC=C3)C1.[Cl-]

Isomeric SMILES

CC[NH+]1C/C(=C\C2=CC=CC=C2)/C(=O)/C(=C\C3=CC=CC=C3)/C1.[Cl-]

InChI

InChI=1S/C21H21NO.ClH/c1-2-22-15-19(13-17-9-5-3-6-10-17)21(23)20(16-22)14-18-11-7-4-8-12-18;/h3-14H,2,15-16H2,1H3;1H/b19-13-,20-14+;