4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile

Systemtic Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzenecarbonitrile Openeye Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzonitrile CAS Name: 4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylbenzonitrile Traditional Name: 4-(4-pyridin-1-ium-2-ylpiperazino)sulfonylbenzonitrile Formula: C16H17N4O2S+ MolecularWeight: 329.39678

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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