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

Systemtic Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Openeye Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile CAS Name: 2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-3-pyridin-1-iumcarbonitrile IUPAC Name: 2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]pyridin-1-ium-3-carbonitrile Traditional Name: 2-[4-(3-fluorophenyl)sulfonylpiperazino]pyridin-1-ium-3-carbonitrile Formula: C16H16FN4O2S+ MolecularWeight: 347.387243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15FN4O2S/c17-14-4-1-5-15(11-14)24(22,23)21-9-7-20(8-10-21)16-13(12-18)3-2-6-19-16/h1-6,11H,7-10H2/p+1