N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-2-(3-pyridinyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-2-pyridin-3-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-2-(3-pyridyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethyl]-piperonylamide Formula: C24H24N3O3+ MolecularWeight: 402.46566

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)C(CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@@H](CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CN=CC=C5

InChI

InChI=1S/C24H23N3O3/c28-24(18-7-8-22-23(12-18)30-16-29-22)26-14-21(19-6-3-10-25-13-19)27-11-9-17-4-1-2-5-20(17)15-27/h1-8,10,12-13,21H,9,11,14-16H2,(H,26,28)/p+1/t21-/m0/s1