N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(1,3-benzodioxol-5-ylamino)-oxomethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(1,3-benzodioxol-5-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H20N3O4+ MolecularWeight: 354.3798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H19N3O4/c23-18(11-22-8-7-13-3-1-2-4-14(13)10-22)21-19(24)20-15-5-6-16-17(9-15)26-12-25-16/h1-6,9H,7-8,10-12H2,(H2,20,21,23,24)/p+1