6-chloranyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one

Systemtic Name: 6-chloranyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H19ClF3N4O+ MolecularWeight: 423.83927

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClF3N4O/c21-14-4-5-17-16(11-14)19(29)26-18(25-17)12-27-6-8-28(9-7-27)15-3-1-2-13(10-15)20(22,23)24/h1-5,10-11H,6-9,12H2,(H,25,26,29)/p+1