1-methyl-4-(6-naphthalen-2-ylsulfanylpyridin-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(6-naphthalen-2-ylsulfanylpyridin-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-(2-naphthylsulfanyl)-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-(2-naphthalenylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(6-naphthalen-2-ylsulfanylpyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-(2-naphthylthio)-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C20H22N3O2S2+ MolecularWeight: 400.53758

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C20H21N3O2S2/c1-22-10-12-23(13-11-22)27(24,25)19-8-9-20(21-15-19)26-18-7-6-16-4-2-3-5-17(16)14-18/h2-9,14-15H,10-13H2,1H3/p+1