N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-methyl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)propyl]-piperonylamide Formula: C21H25N2O3+ MolecularWeight: 353.4348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=CC2=C(C=C1)OCO2)[NH+]3CCC4=CC=CC=C4C3

Isomeric SMILES

CC(C)(CNC(=O)C1=CC2=C(C=C1)OCO2)[NH+]3CCC4=CC=CC=C4C3

InChI

InChI=1S/C21H24N2O3/c1-21(2,23-10-9-15-5-3-4-6-17(15)12-23)13-22-20(24)16-7-8-18-19(11-16)26-14-25-18/h3-8,11H,9-10,12-14H2,1-2H3,(H,22,24)/p+1