(1R)-2-(benzimidazol-1-ylmethyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium

Systemtic Name: (1R)-2-(benzimidazol-1-ylmethyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Openeye Name: (1R)-2-(benzimidazol-1-ylmethyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium CAS Name: (1R)-2-(1-benzimidazolylmethyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium IUPAC Name: (1R)-2-(benzimidazol-1-ylmethyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Traditional Name: (1R)-2-(benzimidazol-1-ylmethyl)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium Formula: C25H26N3O2+ MolecularWeight: 400.49284

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CN3C=NC4=CC=CC=C43)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CN3C=NC4=CC=CC=C43)C5=CC=CC=C5)OC

InChI

InChI=1S/C25H25N3O2/c1-29-23-14-19-12-13-27(17-28-16-26-21-10-6-7-11-22(21)28)25(18-8-4-3-5-9-18)20(19)15-24(23)30-2/h3-11,14-16,25H,12-13,17H2,1-2H3/p+1/t25-/m1/s1