N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-piperonyl-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H21N2O3+ MolecularWeight: 325.38164

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H20N2O3/c22-19(12-21-8-7-15-3-1-2-4-16(15)11-21)20-10-14-5-6-17-18(9-14)24-13-23-17/h5-9,11H,1-4,10,12-13H2/p+1