4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 4-[4-(diphenylmethyl)piperazin-4-ium-1-yl]-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 4-[4-(diphenylmethyl)-1-piperazin-4-iumyl]-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 4-(4-benzhydrylpiperazin-4-ium-1-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C28H25F3N3O2+ MolecularWeight: 492.51221

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C=CC=C(C5=NC=C4C(=O)O)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C4=C5C=CC=C(C5=NC=C4C(=O)O)C(F)(F)F

InChI

InChI=1S/C28H24F3N3O2/c29-28(30,31)23-13-7-12-21-24(23)32-18-22(27(35)36)26(21)34-16-14-33(15-17-34)25(19-8-3-1-4-9-19)20-10-5-2-6-11-20/h1-13,18,25H,14-17H2,(H,35,36)/p+1