3-cyano-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide

Systemtic Name: 3-cyano-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 3-cyano-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 3-cyano-N-[3-(1-piperidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 3-cyano-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 3-cyano-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=CC(=C2)C#N

Isomeric SMILES

C1CC[NH+](CC1)CCCNS(=O)(=O)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C15H21N3O2S/c16-13-14-6-4-7-15(12-14)21(19,20)17-8-5-11-18-9-2-1-3-10-18/h4,6-7,12,17H,1-3,5,8-11H2/p+1