3-cyclopentyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one chloride

Systemtic Name: 3-cyclopentyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one chloride Openeye Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-cyclopentyl-propan-1-one chloride CAS Name: 3-cyclopentyl-1-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-1-propanone chloride IUPAC Name: 3-cyclopentyl-1-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]propan-1-one chloride Traditional Name: 1-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-3-cyclopentyl-propan-1-one chloride Formula: C21H31ClN2O MolecularWeight: 362.93664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)CC=CC3=CC=CC=C3.[Cl-]

Isomeric SMILES

C1CCC(C1)CCC(=O)N2CC[NH+](CC2)C/C=C/C3=CC=CC=C3.[Cl-]

InChI

InChI=1S/C21H30N2O.ClH/c24-21(13-12-20-9-4-5-10-20)23-17-15-22(16-18-23)14-6-11-19-7-2-1-3-8-19;/h1-3,6-8,11,20H,4-5,9-10,12-18H2;1H/b11-6+;