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

Systemtic Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[bis(4-fluorophenyl)methyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C26H25F2N4O+ MolecularWeight: 447.499706

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC(=O)C3=CC=CC=C3N2)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F

InChI

InChI=1S/C26H24F2N4O/c27-20-9-5-18(6-10-20)25(19-7-11-21(28)12-8-19)32-15-13-31(14-16-32)17-24-29-23-4-2-1-3-22(23)26(33)30-24/h1-12,25H,13-17H2,(H,29,30,33)/p+1