1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-1-ium-1,3-dicarboxylic acid

Systemtic Name: 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-1-ium-1,3-dicarboxylic acid Openeye Name: 1-[[6-methyl-2-(trifluoromethyl)-4-quinolyl]oxy]pyrrolidin-1-ium-1,3-dicarboxylic acid CAS Name: 1-[[6-methyl-2-(trifluoromethyl)-4-quinolinyl]oxy]pyrrolidin-1-ium-1,3-dicarboxylic acid IUPAC Name: 1-[6-methyl-2-(trifluoromethyl)quinolin-4-yl]oxypyrrolidin-1-ium-1,3-dicarboxylic acid Traditional Name: 1-[[6-methyl-2-(trifluoromethyl)-4-quinolyl]oxy]pyrrolidin-1-ium-1,3-dicarboxylic acid Formula: C17H16F3N2O5+ MolecularWeight: 385.31455

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(C=C2O[N+]3(CCC(C3)C(=O)O)C(=O)O)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(C=C2O[N+]3(CCC(C3)C(=O)O)C(=O)O)C(F)(F)F

InChI

InChI=1S/C17H15F3N2O5/c1-9-2-3-12-11(6-9)13(7-14(21-12)17(18,19)20)27-22(16(25)26)5-4-10(8-22)15(23)24/h2-3,6-7,10H,4-5,8H2,1H3,(H-,23,24,25,26)/p+1