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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25N3O5/c1-14-17(5-4-6-18(14)24(26)27)22-21(25)8-10-23-9-7-15-11-19(28-2)20(29-3)12-16(15)13-23/h4-6,11-12H,7-10,13H2,1-3H3,(H,22,25)/p+1