N-[4-(diethylsulfamoyl)phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[4-(diethylsulfamoyl)phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-[4-(diethylsulfamoyl)phenyl]-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[4-(diethylsulfamoyl)phenyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[4-(diethylsulfamoyl)phenyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-[4-(diethylsulfamoyl)phenyl]-2-isoquinolin-2-ium-2-yl-acetamide Formula: C21H24N3O3S+ MolecularWeight: 398.49856

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C21H23N3O3S/c1-3-24(4-2)28(26,27)20-11-9-19(10-12-20)22-21(25)16-23-14-13-17-7-5-6-8-18(17)15-23/h5-15H,3-4,16H2,1-2H3/p+1