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

Systemtic Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,3-dimethyl-6-nitro-phenyl)ethanamide Openeye Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide CAS Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide IUPAC Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,3-dimethyl-6-nitrophenyl)acetamide Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-(2,3-dimethyl-6-nitro-phenyl)acetamide Formula: C21H26N3O5+ MolecularWeight: 400.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C

Isomeric SMILES

CC1=C(C(=C(C=C1)[N+](=O)[O-])NC(=O)C[NH+]2CCC3=CC(=C(C=C3C2)OC)OC)C

InChI

InChI=1S/C21H25N3O5/c1-13-5-6-17(24(26)27)21(14(13)2)22-20(25)12-23-8-7-15-9-18(28-3)19(29-4)10-16(15)11-23/h5-6,9-10H,7-8,11-12H2,1-4H3,(H,22,25)/p+1