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

Systemtic Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Openeye Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide CAS Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3R)-3-methyl-1-piperidin-1-iumyl]propanamide IUPAC Name: (2S)-N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-[(3R)-3-methylpiperidin-1-ium-1-yl]propanamide Traditional Name: (2S)-N-[3-(diethylsulfamoyl)-4-methyl-phenyl]-2-[(3R)-3-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+]2CCCC(C2)C)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NC(=O)[C@H](C)[NH+]2CCC[C@H](C2)C)C

InChI

InChI=1S/C20H33N3O3S/c1-6-23(7-2)27(25,26)19-13-18(11-10-16(19)4)21-20(24)17(5)22-12-8-9-15(3)14-22/h10-11,13,15,17H,6-9,12,14H2,1-5H3,(H,21,24)/p+1/t15-,17+/m1/s1