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

Systemtic Name: 2-[4-(phenylmethyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-(4-benzylsulfonylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(phenylmethyl)sulfonyl-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-(4-benzylsulfonylpiperazin-1-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 2-(4-benzylsulfonylpiperazino)pyridin-1-ium-3-carbonitrile Formula: C17H19N4O2S+ MolecularWeight: 343.42336

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=C(C=CC=[NH+]2)C#N)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H18N4O2S/c18-13-16-7-4-8-19-17(16)20-9-11-21(12-10-20)24(22,23)14-15-5-2-1-3-6-15/h1-8H,9-12,14H2/p+1