3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide

Systemtic Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Openeye Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide CAS Name: 3-[(3S,5S)-3,5-dimethyl-1-piperidin-1-iumyl]-N-(4-sulfamoylphenyl)propanamide IUPAC Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propanamide Traditional Name: 3-[(3S,5S)-3,5-dimethylpiperidin-1-ium-1-yl]-N-(4-sulfamoylphenyl)propionamide Formula: C16H26N3O3S+ MolecularWeight: 340.46094

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C[NH+](C1)CCC(=O)NC2=CC=C(C=C2)S(=O)(=O)N)C

Isomeric SMILES

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

InChI

InChI=1S/C16H25N3O3S/c1-12-9-13(2)11-19(10-12)8-7-16(20)18-14-3-5-15(6-4-14)23(17,21)22/h3-6,12-13H,7-11H2,1-2H3,(H,18,20)(H2,17,21,22)/p+1/t12-,13-/m0/s1