N-(2-cyano-4,5-dimethoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-cyano-4,5-dimethoxyphenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-cyano-4,5-dimethoxy-phenyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C20H22N3O3+ MolecularWeight: 352.40698

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C#N)NC(=O)C[NH+]2CCC3=CC=CC=C3C2)OC

InChI

InChI=1S/C20H21N3O3/c1-25-18-9-16(11-21)17(10-19(18)26-2)22-20(24)13-23-8-7-14-5-3-4-6-15(14)12-23/h3-6,9-10H,7-8,12-13H2,1-2H3,(H,22,24)/p+1