N-(4,5-dimethyl-2-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(4,5-dimethyl-2-nitrophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4,5-dimethyl-2-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H22N3O3+ MolecularWeight: 340.39628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C19H21N3O3/c1-13-9-17(18(22(24)25)10-14(13)2)20-19(23)12-21-8-7-15-5-3-4-6-16(15)11-21/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,23)/p+1