1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidin-2-one

Systemtic Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidin-2-one Openeye Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidin-2-one CAS Name: 1-[4-[[4-(2-pyridin-1-iumyl)-1-piperazinyl]sulfonyl]phenyl]-2-piperidinone IUPAC Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazin-1-yl)sulfonylphenyl]piperidin-2-one Traditional Name: 1-[4-(4-pyridin-1-ium-2-ylpiperazino)sulfonylphenyl]-2-piperidone Formula: C20H25N4O3S+ MolecularWeight: 401.5025

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CCN(C(=O)C1)C2=CC=C(C=C2)S(=O)(=O)N3CCN(CC3)C4=CC=CC=[NH+]4

InChI

InChI=1S/C20H24N4O3S/c25-20-6-2-4-12-24(20)17-7-9-18(10-8-17)28(26,27)23-15-13-22(14-16-23)19-5-1-3-11-21-19/h1,3,5,7-11H,2,4,6,12-16H2/p+1