2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(E)-3-phenylprop-2-enyl]-1-piperazin-4-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[(E)-3-phenylprop-2-enyl]piperazin-4-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[(E)-cinnamyl]piperazin-4-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C22H25N4O+ MolecularWeight: 361.4601

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

C1CN(CC[NH+]1C/C=C/C2=CC=CC=C2)CC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C22H24N4O/c27-22-19-10-4-5-11-20(19)23-21(24-22)17-26-15-13-25(14-16-26)12-6-9-18-7-2-1-3-8-18/h1-11H,12-17H2,(H,23,24,27)/p+1/b9-6+