N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[(2,3-dihydro-1,4-benzodioxin-6-ylamino)-oxomethyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C20H22N3O4+ MolecularWeight: 368.40638

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H21N3O4/c24-19(13-23-8-7-14-3-1-2-4-15(14)12-23)22-20(25)21-16-5-6-17-18(11-16)27-10-9-26-17/h1-6,11H,7-10,12-13H2,(H2,21,22,24,25)/p+1