2-(4-fluorophenyl)-6-methoxy-1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-(4-fluorophenyl)-6-methoxy-1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-(4-fluorophenyl)-6-methoxy-1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-(4-fluorophenyl)-6-methoxy-1-[4-(1-methyl-4-pyridin-1-iumyl)phenyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-(4-fluorophenyl)-6-methoxy-1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-(4-fluorophenyl)-6-methoxy-1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-3,4-dihydro-1H-isoquinoline Formula: C28H26FN2O+ MolecularWeight: 425.517243

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C3C4=C(CCN3C5=CC=C(C=C5)F)C=C(C=C4)OC

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C3C4=C(CCN3C5=CC=C(C=C5)F)C=C(C=C4)OC

InChI

InChI=1S/C28H26FN2O/c1-30-16-13-21(14-17-30)20-3-5-22(6-4-20)28-27-12-11-26(32-2)19-23(27)15-18-31(28)25-9-7-24(29)8-10-25/h3-14,16-17,19,28H,15,18H2,1-2H3/q+1