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

Systemtic Name: 1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-2-phenyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline iodide Openeye Name: 6-benzyloxy-1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinoline iodide CAS Name: 1-[4-(1-methyl-4-pyridin-1-iumyl)phenyl]-2-phenyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline iodide IUPAC Name: 1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-2-phenyl-6-phenylmethoxy-3,4-dihydro-1H-isoquinoline iodide Traditional Name: 6-benzoxy-1-[4-(1-methylpyridin-1-ium-4-yl)phenyl]-2-phenyl-3,4-dihydro-1H-isoquinoline iodide Formula: C34H31IN2O MolecularWeight: 610.52721

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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=CC=C5)C=C(C=C4)OCC6=CC=CC=C6.[I-]

Isomeric SMILES

C[N+]1=CC=C(C=C1)C2=CC=C(C=C2)C3C4=C(CCN3C5=CC=CC=C5)C=C(C=C4)OCC6=CC=CC=C6.[I-]

InChI

InChI=1S/C34H31N2O.HI/c1-35-21-18-28(19-22-35)27-12-14-29(15-13-27)34-33-17-16-32(37-25-26-8-4-2-5-9-26)24-30(33)20-23-36(34)31-10-6-3-7-11-31;/h2-19,21-22,24,34H,20,23,25H2,1H3;1H/q+1;/p-1