4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C16H17F3N3O2+ MolecularWeight: 340.32029

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C3C=CC=C(C3=NC=C2C(=O)O)C(F)(F)F

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C3C=CC=C(C3=NC=C2C(=O)O)C(F)(F)F

InChI

InChI=1S/C16H16F3N3O2/c1-21-5-7-22(8-6-21)14-10-3-2-4-12(16(17,18)19)13(10)20-9-11(14)15(23)24/h2-4,9H,5-8H2,1H3,(H,23,24)/p+1