N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-isoquinolin-2-ium-2-yl-acetamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-4-25(5-2)29(27,28)21-14-20(11-10-17(21)3)23-22(26)16-24-13-12-18-8-6-7-9-19(18)15-24/h6-15H,4-5,16H2,1-3H3/p+1