2-[[4-[2-(4-fluorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[4-[2-(4-fluorophenyl)quinolin-4-yl]carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[[2-(4-fluorophenyl)-4-quinolinyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[2-(4-fluorophenyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C29H25FN5O2+ MolecularWeight: 494.539503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(=O)C4=CC(=NC5=CC=CC=C54)C6=CC=C(C=C6)F

InChI

InChI=1S/C29H24FN5O2/c30-20-11-9-19(10-12-20)26-17-23(21-5-1-3-7-24(21)31-26)29(37)35-15-13-34(14-16-35)18-27-32-25-8-4-2-6-22(25)28(36)33-27/h1-12,17H,13-16,18H2,(H,32,33,36)/p+1