1-[2-(phenylsulfonyl)ethyl]piperidin-1-ium-4-carbonitrile

Systemtic Name: 1-[2-(phenylsulfonyl)ethyl]piperidin-1-ium-4-carbonitrile Openeye Name: 1-[2-(benzenesulfonyl)ethyl]piperidin-1-ium-4-carbonitrile CAS Name: 1-[2-(benzenesulfonyl)ethyl]-4-piperidin-1-iumcarbonitrile IUPAC Name: 1-[2-(benzenesulfonyl)ethyl]piperidin-1-ium-4-carbonitrile Traditional Name: 1-(2-besylethyl)piperidin-1-ium-4-carbonitrile Formula: C14H19N2O2S+ MolecularWeight: 279.37786

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C#N)CCS(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

C1C[NH+](CCC1C#N)CCS(=O)(=O)C2=CC=CC=C2

InChI

InChI=1S/C14H18N2O2S/c15-12-13-6-8-16(9-7-13)10-11-19(17,18)14-4-2-1-3-5-14/h1-5,13H,6-11H2/p+1