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

Systemtic Name: (3-phenylimidazol-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Openeye Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone CAS Name: (3-phenyl-4-imidazolyl)-[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (3-phenylimidazol-4-yl)-[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methanone Traditional Name: [4-[(E)-cinnamyl]piperazin-4-ium-1-yl]-(3-phenylimidazol-4-yl)methanone Formula: C23H25N4O+ MolecularWeight: 373.4708

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CN=CN3C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)C(=O)C3=CN=CN3C4=CC=CC=C4

InChI

InChI=1S/C23H24N4O/c28-23(22-18-24-19-27(22)21-11-5-2-6-12-21)26-16-14-25(15-17-26)13-7-10-20-8-3-1-4-9-20/h1-12,18-19H,13-17H2/p+1/b10-7+