(2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(3S)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-[3-(dimethylsulfamoyl)phenyl]-2-[(3S)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C17H28N3O3S+ MolecularWeight: 354.48752

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC[NH+](C1)C(C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

Isomeric SMILES

C[C@H]1CCC[NH+](C1)[C@@H](C)C(=O)NC2=CC(=CC=C2)S(=O)(=O)N(C)C

InChI

InChI=1S/C17H27N3O3S/c1-13-7-6-10-20(12-13)14(2)17(21)18-15-8-5-9-16(11-15)24(22,23)19(3)4/h5,8-9,11,13-14H,6-7,10,12H2,1-4H3,(H,18,21)/p+1/t13-,14-/m0/s1