1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one

Systemtic Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one Openeye Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one CAS Name: 1-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-cinnolinone IUPAC Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one Traditional Name: 1-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]cinnolin-4-one Formula: C19H20FN4O+ MolecularWeight: 339.386703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C=N2)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CN2C3=CC=CC=C3C(=O)C=N2)C4=CC=C(C=C4)F

InChI

InChI=1S/C19H19FN4O/c20-15-5-7-16(8-6-15)23-11-9-22(10-12-23)14-24-18-4-2-1-3-17(18)19(25)13-21-24/h1-8,13H,9-12,14H2/p+1