(3,4-dichlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (3,4-dichlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3,4-dichlorophenyl)methanone CAS Name: (3,4-dichlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3,4-dichlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3,4-dichlorophenyl)methanone Formula: C20H21Cl2N2O+ MolecularWeight: 376.29954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=C(C=C3)Cl)Cl

InChI

InChI=1S/C20H20Cl2N2O/c21-18-9-8-17(15-19(18)22)20(25)24-13-11-23(12-14-24)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2/p+1/b7-4+