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

Systemtic Name: (2-chlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: (2-chlorophenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone CAS Name: (2-chlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (2-chlorophenyl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: (2-chlorophenyl)-[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methanone Formula: C20H22ClN2O+ MolecularWeight: 341.85448

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC=CC=C3Cl

InChI

InChI=1S/C20H21ClN2O/c21-19-11-5-4-10-18(19)20(24)23-15-13-22(14-16-23)12-6-9-17-7-2-1-3-8-17/h1-11H,12-16H2/p+1/b9-6+