8-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]isoquinolin-7-ol

Systemtic Name: 8-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]isoquinolin-7-ol Openeye Name: 8-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]isoquinolin-7-ol CAS Name: 8-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]-7-isoquinolinol IUPAC Name: 8-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]isoquinolin-7-ol Traditional Name: 8-[[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]methyl]isoquinolin-7-ol Formula: C27H27N2O3+ MolecularWeight: 427.51488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC3=C(C=CC4=C3C=NC=C4)O)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC3=C(C=CC4=C3C=NC=C4)O)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H26N2O3/c1-31-25-14-20-11-13-29(17-23-22-16-28-12-10-18(22)8-9-24(23)30)27(19-6-4-3-5-7-19)21(20)15-26(25)32-2/h3-10,12,14-16,27,30H,11,13,17H2,1-2H3/p+1/t27-/m1/s1