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

Systemtic Name: 4-cyano-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Openeye Name: 4-cyano-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide CAS Name: 4-cyano-N-[3-(1-piperidin-1-iumyl)propyl]benzenesulfonamide IUPAC Name: 4-cyano-N-(3-piperidin-1-ium-1-ylpropyl)benzenesulfonamide Traditional Name: 4-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=C(C=C2)C#N

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c16-13-14-5-7-15(8-6-14)21(19,20)17-9-4-12-18-10-2-1-3-11-18/h5-8,17H,1-4,9-12H2/p+1