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

Systemtic Name: 1-[6-(cyclohexylmethylsulfanyl)pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(cyclohexylmethylsulfanyl)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-(cyclohexylmethylthio)-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(cyclohexylmethylsulfanyl)pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-(cyclohexylmethylthio)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C17H28N3O2S2+ MolecularWeight: 370.55312

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3CCCCC3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3CCCCC3

InChI

InChI=1S/C17H27N3O2S2/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/h7-8,13,15H,2-6,9-12,14H2,1H3/p+1