7-[pyridin-1-ium-4-yl-[[3-(trifluoromethyl)phenyl]amino]methyl]quinolin-1-ium-8-ol

Systemtic Name: 7-[pyridin-1-ium-4-yl-[[3-(trifluoromethyl)phenyl]amino]methyl]quinolin-1-ium-8-ol Openeye Name: 7-[pyridin-1-ium-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-1-ium-8-ol CAS Name: 7-[4-pyridin-1-iumyl-[3-(trifluoromethyl)anilino]methyl]-8-quinolin-1-iumol IUPAC Name: 7-[pyridin-1-ium-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-1-ium-8-ol Traditional Name: 7-[pyridin-1-ium-4-yl-[3-(trifluoromethyl)anilino]methyl]quinolin-1-ium-8-ol Formula: C22H18F3N3O+2 MolecularWeight: 397.39303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(C2=CC=[NH+]C=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O)C(F)(F)F

Isomeric SMILES

C1=CC(=CC(=C1)NC(C2=CC=[NH+]C=C2)C3=C(C4=C(C=CC=[NH+]4)C=C3)O)C(F)(F)F

InChI

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