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

Systemtic Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methyl-3-nitro-phenyl)ethanamide Openeye Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methyl-3-nitro-phenyl)acetamide CAS Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methyl-3-nitrophenyl)acetamide IUPAC Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methyl-3-nitrophenyl)acetamide Traditional Name: 2-[(1R)-6,7-dimethoxy-1-phenyl-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl]-N-(2-methyl-3-nitro-phenyl)acetamide Formula: C26H28N3O5+ MolecularWeight: 462.51762

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2C4=CC=CC=C4)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)C[NH+]2CCC3=CC(=C(C=C3[C@H]2C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C26H27N3O5/c1-17-21(10-7-11-22(17)29(31)32)27-25(30)16-28-13-12-19-14-23(33-2)24(34-3)15-20(19)26(28)18-8-5-4-6-9-18/h4-11,14-15,26H,12-13,16H2,1-3H3,(H,27,30)/p+1/t26-/m1/s1