(2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide

Systemtic Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(3R)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-[5-(dimethylsulfamoyl)-2-methyl-phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propionamide Formula: C18H30N3O3S+ MolecularWeight: 368.5141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N3O3S/c1-13-7-6-10-21(12-13)15(3)18(22)19-17-11-16(9-8-14(17)2)25(23,24)20(4)5/h8-9,11,13,15H,6-7,10,12H2,1-5H3,(H,19,22)/p+1/t13-,15+/m1/s1