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

Systemtic Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(5-methoxy-2-methyl-4-nitrophenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(5-methoxy-2-methyl-4-nitro-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H22N3O4+ MolecularWeight: 356.39568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-13-9-17(22(24)25)18(26-2)10-16(13)20-19(23)12-21-8-7-14-5-3-4-6-15(14)11-21/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,20,23)/p+1