7-chloranyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinazolin-4-olate

Systemtic Name: 7-chloranyl-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Openeye Name: 7-chloro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinazolin-4-olate CAS Name: 7-chloro-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-4-quinazolinolate IUPAC Name: 7-chloro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Traditional Name: 7-chloro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinazolin-4-olate Formula: C20H18ClF3N4O MolecularWeight: 422.83133

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=NC3=C(C=CC(=C3)Cl)C(=N2)[O-])C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C20H18ClF3N4O/c21-14-4-5-16-17(11-14)25-18(26-19(16)29)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)