3-cyano-N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzenesulfonamide

Systemtic Name: 3-cyano-N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzenesulfonamide Openeye Name: 3-cyano-N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzenesulfonamide CAS Name: 3-cyano-N-[(2S)-2-[(2S)-2-methyl-1-piperidin-1-iumyl]propyl]benzenesulfonamide IUPAC Name: 3-cyano-N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzenesulfonamide Traditional Name: 3-cyano-N-[(2S)-2-[(2S)-2-methylpiperidin-1-ium-1-yl]propyl]benzenesulfonamide Formula: C16H24N3O2S+ MolecularWeight: 322.44566

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCC[NH+]1C(C)CNS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C[C@H]1CCCC[NH+]1[C@@H](C)CNS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C16H23N3O2S/c1-13-6-3-4-9-19(13)14(2)12-18-22(20,21)16-8-5-7-15(10-16)11-17/h5,7-8,10,13-14,18H,3-4,6,9,12H2,1-2H3/p+1/t13-,14-/m0/s1