6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 6-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 6-[4-(4-chlorophenyl)sulfonylpiperazino]pyridin-1-ium-3-carbonitrile Formula: C16H16ClN4O2S+ MolecularWeight: 363.84184

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15ClN4O2S/c17-14-2-4-15(5-3-14)24(22,23)21-9-7-20(8-10-21)16-6-1-13(11-18)12-19-16/h1-6,12H,7-10H2/p+1