N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-N-piperonyl-acetamide Formula: C21H25N2O5+ MolecularWeight: 385.4336

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NCC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C[NH+](CCC2=C1)CC(=O)NCC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C21H24N2O5/c1-25-18-8-15-5-6-23(11-16(15)9-19(18)26-2)12-21(24)22-10-14-3-4-17-20(7-14)28-13-27-17/h3-4,7-9H,5-6,10-13H2,1-2H3,(H,22,24)/p+1