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

Systemtic Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(2-phenylquinolin-4-yl)methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(2-phenyl-4-quinolyl)methanone CAS Name: [4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]-(2-phenyl-4-quinolinyl)methanone IUPAC Name: [4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]-(2-phenylquinolin-4-yl)methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(2-phenyl-4-quinolyl)methanone Formula: C29H28N3O+ MolecularWeight: 434.55212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=C5

InChI

InChI=1S/C29H27N3O/c33-29(32-20-18-31(19-21-32)17-9-12-23-10-3-1-4-11-23)26-22-28(24-13-5-2-6-14-24)30-27-16-8-7-15-25(26)27/h1-16,22H,17-21H2/p+1/b12-9+