methyl 4-[2-oxidanylidene-1-[[2-oxidanylidene-3-(trifluoromethyl)quinazolin-4-yl]amino]-3-propan-2-yl-pyrrolidin-1-ium-1-yl]-1-propan-2-yl-piperidine-3-carboxylate

Systemtic Name: methyl 4-[2-oxidanylidene-1-[[2-oxidanylidene-3-(trifluoromethyl)quinazolin-4-yl]amino]-3-propan-2-yl-pyrrolidin-1-ium-1-yl]-1-propan-2-yl-piperidine-3-carboxylate Openeye Name: methyl 1-isopropyl-4-[3-isopropyl-2-oxo-1-[[2-oxo-3-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-ium-1-yl]piperidine-3-carboxylate CAS Name: 4-[2-oxo-1-[[2-oxo-3-(trifluoromethyl)-4-quinazolinyl]amino]-3-propan-2-yl-1-pyrrolidin-1-iumyl]-1-propan-2-yl-3-piperidinecarboxylic acid methyl ester IUPAC Name: methyl 4-[2-oxo-1-[[2-oxo-3-(trifluoromethyl)quinazolin-4-yl]amino]-3-propan-2-ylpyrrolidin-1-ium-1-yl]-1-propan-2-ylpiperidine-3-carboxylate Traditional Name: 1-isopropyl-4-[3-isopropyl-2-keto-1-[[2-keto-3-(trifluoromethyl)quinazolin-4-yl]amino]pyrrolidin-1-ium-1-yl]nipecotic acid methyl ester Formula: C26H35F3N5O4+ MolecularWeight: 538.58241

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CC[N+](C1=O)(C2CCN(CC2C(=O)OC)C(C)C)NC3=C4C=CC=CC4=NC(=O)N3C(F)(F)F

Isomeric SMILES

CC(C)C1CC[N+](C1=O)(C2CCN(CC2C(=O)OC)C(C)C)NC3=C4C=CC=CC4=NC(=O)N3C(F)(F)F

InChI

InChI=1S/C26H34F3N5O4/c1-15(2)17-11-13-34(23(17)35,21-10-12-32(16(3)4)14-19(21)24(36)38-5)31-22-18-8-6-7-9-20(18)30-25(37)33(22)26(27,28)29/h6-9,15-17,19,21H,10-14H2,1-5H3/p+1