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

Systemtic Name: 6-chloranyl-2-[[4-(4-fluorophenyl)carbonylpiperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-[(4-fluorophenyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-(4-fluorobenzoyl)piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H19ClFN4O2+ MolecularWeight: 401.841863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H18ClFN4O2/c21-14-3-6-17-16(11-14)19(27)24-18(23-17)12-25-7-9-26(10-8-25)20(28)13-1-4-15(22)5-2-13/h1-6,11H,7-10,12H2,(H,23,24,27)/p+1