methyl 4-oxidanylidene-2-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]carbonyloxymethyl]-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-2-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidin-4-yl]carbonyloxymethyl]-1H-quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-2-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carbonyl]oxymethyl]-1H-quinazoline-7-carboxylate CAS Name: 4-oxo-2-[[oxo-[1-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-4-piperidinyl]methoxy]methyl]-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 4-oxo-2-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperidine-4-carbonyl]oxymethyl]-1H-quinazoline-7-carboxylate Traditional Name: 4-keto-2-[[1-[5-(trifluoromethyl)pyridin-1-ium-2-yl]isonipecotoyl]oxymethyl]-1H-quinazoline-7-carboxylic acid methyl ester Formula: C23H22F3N4O5+ MolecularWeight: 491.43979

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N=C(N2)COC(=O)C3CCN(CC3)C4=[NH+]C=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N4O5/c1-34-21(32)14-2-4-16-17(10-14)28-18(29-20(16)31)12-35-22(33)13-6-8-30(9-7-13)19-5-3-15(11-27-19)23(24,25)26/h2-5,10-11,13H,6-9,12H2,1H3,(H,28,29,31)/p+1