N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[4-(phenylmethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]acetamide CAS Name: N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[4-(phenylmethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methylphenyl]acetamide Traditional Name: 2-(4-benzylpiperidin-1-ium-1-yl)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]acetamide Formula: C25H36N3O3S+ MolecularWeight: 458.63664

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)C[NH+]2CCC(CC2)CC3=CC=CC=C3)C

InChI

InChI=1S/C25H35N3O3S/c1-4-28(5-2)32(30,31)24-18-23(12-11-20(24)3)26-25(29)19-27-15-13-22(14-16-27)17-21-9-7-6-8-10-21/h6-12,18,22H,4-5,13-17,19H2,1-3H3,(H,26,29)/p+1