6,7-dimethoxy-2-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 6,7-dimethoxy-2-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Openeye Name: 6,7-dimethoxy-2-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline CAS Name: 6,7-dimethoxy-2-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 6,7-dimethoxy-2-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Traditional Name: 6,7-dimethoxy-2-[5-(trifluoromethyl)pyridin-1-ium-2-yl]-3,4-dihydro-1H-isoquinoline Formula: C17H18F3N2O2+ MolecularWeight: 339.33223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2CN(CCC2=C1)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C2CN(CCC2=C1)C3=[NH+]C=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C17H17F3N2O2/c1-23-14-7-11-5-6-22(10-12(11)8-15(14)24-2)16-4-3-13(9-21-16)17(18,19)20/h3-4,7-9H,5-6,10H2,1-2H3/p+1