1-methyl-4-[6-(phenylmethylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-(phenylmethylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-benzylsulfanyl-3-pyridyl)sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[[6-(phenylmethylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-(6-benzylsulfanylpyridin-3-yl)sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-(benzylthio)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C17H22N3O2S2+ MolecularWeight: 364.50548

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C17H21N3O2S2/c1-19-9-11-20(12-10-19)24(21,22)16-7-8-17(18-13-16)23-14-15-5-3-2-4-6-15/h2-8,13H,9-12,14H2,1H3/p+1