2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)ethanamide Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methoxy-2-methyl-4-nitrophenyl)acetamide Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(5-methoxy-2-methyl-4-nitro-phenyl)acetamide Formula: C21H26N3O6+ MolecularWeight: 416.44764

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O6/c1-13-7-17(24(26)27)18(28-2)10-16(13)22-21(25)12-23-6-5-14-8-19(29-3)20(30-4)9-15(14)11-23/h7-10H,5-6,11-12H2,1-4H3,(H,22,25)/p+1