N-(2,1,3-benzothiadiazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-(2,1,3-benzothiadiazol-4-yl)-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-piazthiol-4-yl-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C17H17N4OS+ MolecularWeight: 325.40808

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=CC4=NSN=C43

Isomeric SMILES

C1C[NH+](CC2=CC=CC=C21)CC(=O)NC3=CC=CC4=NSN=C43

InChI

InChI=1S/C17H16N4OS/c22-16(18-14-6-3-7-15-17(14)20-23-19-15)11-21-9-8-12-4-1-2-5-13(12)10-21/h1-7H,8-11H2,(H,18,22)/p+1