7-[pyridin-2-yl-[[3-(trifluoromethyl)phenyl]amino]methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[pyridin-2-yl-[[3-(trifluoromethyl)phenyl]amino]methyl]quinolin-1-ium-8-ol Openeye Name: 7-[2-pyridyl-[3-(trifluoromethyl)anilino]methyl]quinolin-1-ium-8-ol CAS Name: 7-[2-pyridinyl-[3-(trifluoromethyl)anilino]methyl]-8-quinolin-1-iumol IUPAC Name: 7-[pyridin-2-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-1-ium-8-ol Traditional Name: 7-[2-pyridyl-[3-(trifluoromethyl)anilino]methyl]quinolin-1-ium-8-ol Formula: C22H17F3N3O+ MolecularWeight: 396.38509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)NC4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1=CC=NC(=C1)C(C2=C(C3=C(C=CC=[NH+]3)C=C2)O)NC4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C22H16F3N3O/c23-22(24,25)15-6-3-7-16(13-15)28-20(18-8-1-2-11-26-18)17-10-9-14-5-4-12-27-19(14)21(17)29/h1-13,20,28-29H/p+1