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

Systemtic Name: N-(2-chloranylpyridin-3-yl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2-chloro-3-pyridyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(2-chloro-3-pyridinyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2-chloropyridin-3-yl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2-chloro-3-pyridyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C18H21ClN3O3+ MolecularWeight: 362.83064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20ClN3O3/c1-24-15-8-12-5-7-22(10-13(12)9-16(15)25-2)11-17(23)21-14-4-3-6-20-18(14)19/h3-4,6,8-9H,5,7,10-11H2,1-2H3,(H,21,23)/p+1