6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[4-(phenylsulfonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-[4-(benzenesulfonyl)-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[4-(benzenesulfonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-(4-besylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C16H16N4O2S/c17-12-14-6-7-16(18-13-14)19-8-10-20(11-9-19)23(21,22)15-4-2-1-3-5-15/h1-7,13H,8-11H2/p+1