methyl 4-oxidanylidene-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C22H22F3N4O3+ MolecularWeight: 447.43029

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)C[NH+]3CCN(CC3)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H21F3N4O3/c1-32-21(31)14-5-6-17-18(11-14)26-19(27-20(17)30)13-28-7-9-29(10-8-28)16-4-2-3-15(12-16)22(23,24)25/h2-6,11-12H,7-10,13H2,1H3,(H,26,27,30)/p+1