(E)-1,1-diphenyl-4-piperidin-1-ium-1-yl-but-3-en-2-one chloride

Systemtic Name: (E)-1,1-diphenyl-4-piperidin-1-ium-1-yl-but-3-en-2-one chloride Openeye Name: (E)-1,1-diphenyl-4-piperidin-1-ium-1-yl-but-3-en-2-one chloride CAS Name: (E)-1,1-diphenyl-4-(1-piperidin-1-iumyl)-3-buten-2-one chloride IUPAC Name: (E)-1,1-diphenyl-4-piperidin-1-ium-1-ylbut-3-en-2-one chloride Traditional Name: (E)-1,1-diphenyl-4-piperidin-1-ium-1-yl-but-3-en-2-one chloride Formula: C21H24ClNO MolecularWeight: 341.87436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C=CC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H23NO.ClH/c23-20(14-17-22-15-8-3-9-16-22)21(18-10-4-1-5-11-18)19-12-6-2-7-13-19;/h1-2,4-7,10-14,17,21H,3,8-9,15-16H2;1H/b17-14+;