N-(4-cyanophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide CAS Name: N-(4-cyanophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]acetamide Formula: C26H26N3O3+ MolecularWeight: 428.50294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C([NH+](CCC2=C1)CC(=O)NC3=CC=C(C=C3)C#N)C4=CC=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2[C@H]([NH+](CCC2=C1)CC(=O)NC3=CC=C(C=C3)C#N)C4=CC=CC=C4)OC

InChI

InChI=1S/C26H25N3O3/c1-31-23-14-20-12-13-29(17-25(30)28-21-10-8-18(16-27)9-11-21)26(19-6-4-3-5-7-19)22(20)15-24(23)32-2/h3-11,14-15,26H,12-13,17H2,1-2H3,(H,28,30)/p+1/t26-/m1/s1