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

Systemtic Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-piperidin-1-ium-1-yl-propanamide Openeye Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-piperidin-1-ium-1-yl-propanamide CAS Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(1-piperidin-1-iumyl)propanamide IUPAC Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-piperidin-1-ium-1-ylpropanamide Traditional Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-piperidin-1-ium-1-yl-propionamide Formula: C19H32N3O3S+ MolecularWeight: 382.54068

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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+]2CCCCC2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)[NH+]2CCCCC2)C

InChI

InChI=1S/C19H31N3O3S/c1-5-22(6-2)26(24,25)18-14-17(11-10-15(18)3)20-19(23)16(4)21-12-8-7-9-13-21/h10-11,14,16H,5-9,12-13H2,1-4H3,(H,20,23)/p+1/t16-/m0/s1