N-[2-(4-sulfamoylphenyl)ethyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[2-(4-sulfamoylphenyl)ethyl]-2-(5,6,7,8-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C19H24N3O3S+ MolecularWeight: 374.47716

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

C1CCC2=C(C1)C=C[N+](=C2)CC(=O)NCCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C19H23N3O3S/c20-26(24,25)18-7-5-15(6-8-18)9-11-21-19(23)14-22-12-10-16-3-1-2-4-17(16)13-22/h5-8,10,12-13H,1-4,9,11,14H2,(H2-,20,21,23,24,25)/p+1