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

Systemtic Name: N-(4-chlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(4-chlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(4-chlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(4-chlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(4-chlorophenyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H22ClN2O3+ MolecularWeight: 361.84258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H21ClN2O3/c1-24-17-9-13-7-8-22(11-14(13)10-18(17)25-2)12-19(23)21-16-5-3-15(20)4-6-16/h3-6,9-10H,7-8,11-12H2,1-2H3,(H,21,23)/p+1