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

Systemtic Name: 2-[[4-[4-nitro-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-[4-nitro-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one CAS Name: 2-[[4-[4-nitro-3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-[4-nitro-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Traditional Name: 2-[[4-[4-nitro-3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazolin-4-one Formula: C20H19F3N5O3+ MolecularWeight: 434.39177

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N5O3/c21-20(22,23)15-11-13(5-6-17(15)28(30)31)27-9-7-26(8-10-27)12-18-24-16-4-2-1-3-14(16)19(29)25-18/h1-6,11H,7-10,12H2,(H,24,25,29)/p+1