(2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide

Systemtic Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide Openeye Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide CAS Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methyl-1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(4-methylpiperidin-1-ium-1-yl)propanamide Traditional Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-(4-methylpiperidin-1-ium-1-yl)propionamide Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3O3S/c1-6-23(7-2)27(25,26)19-14-18(9-8-16(19)4)21-20(24)17(5)22-12-10-15(3)11-13-22/h8-9,14-15,17H,6-7,10-13H2,1-5H3,(H,21,24)/p+1/t17-/m0/s1