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

Systemtic Name: 1-methyl-4-[6-(naphthalen-1-ylmethylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-(1-naphthylmethylsulfanyl)-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-(1-naphthalenylmethylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-(naphthalen-1-ylmethylsulfanyl)pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-(1-naphthylmethylthio)-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C21H23N3O2S2/c1-23-11-13-24(14-12-23)28(25,26)19-9-10-21(22-15-19)27-16-18-7-4-6-17-5-2-3-8-20(17)18/h2-10,15H,11-14,16H2,1H3/p+1