2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(p-tolylsulfonyl)piperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-tosylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=CC=[NH+]3)C#N

InChI

InChI=1S/C17H18N4O2S/c1-14-4-6-16(7-5-14)24(22,23)21-11-9-20(10-12-21)17-15(13-18)3-2-8-19-17/h2-8H,9-12H2,1H3/p+1