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

Systemtic Name: 2-[[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H20FN4O2+ MolecularWeight: 367.396803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19FN4O2/c21-15-7-5-14(6-8-15)20(27)25-11-9-24(10-12-25)13-18-22-17-4-2-1-3-16(17)19(26)23-18/h1-8H,9-13H2,(H,22,23,26)/p+1