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

Systemtic Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-yl-ethyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-thiophen-2-ylethyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[(2R)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)-2-(2-thienyl)ethyl]-piperonylamide Formula: C23H23N2O3S+ MolecularWeight: 407.50532

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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=CC=CS5

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)[C@H](CNC(=O)C3=CC4=C(C=C3)OCO4)C5=CC=CS5

InChI

InChI=1S/C23H22N2O3S/c26-23(17-7-8-20-21(12-17)28-15-27-20)24-13-19(22-6-3-11-29-22)25-10-9-16-4-1-2-5-18(16)14-25/h1-8,11-12,19H,9-10,13-15H2,(H,24,26)/p+1/t19-/m1/s1