N-[3-(diethylsulfamoyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide

Systemtic Name: N-[3-(diethylsulfamoyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)ethanamide Openeye Name: N-[3-(diethylsulfamoyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide CAS Name: N-[3-(diethylsulfamoyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide IUPAC Name: N-[3-(diethylsulfamoyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Traditional Name: N-[3-(diethylsulfamoyl)phenyl]-2-(1,2,3,4-tetrahydroisoquinolin-2-ium-2-yl)acetamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)NC(=O)C[NH+]2CCC3=CC=CC=C3C2

InChI

InChI=1S/C21H27N3O3S/c1-3-24(4-2)28(26,27)20-11-7-10-19(14-20)22-21(25)16-23-13-12-17-8-5-6-9-18(17)15-23/h5-11,14H,3-4,12-13,15-16H2,1-2H3,(H,22,25)/p+1