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

Systemtic Name: 1-[6-[(4-chlorophenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-[(4-chlorophenyl)methylsulfanyl]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(4-chlorophenyl)methylthio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-[(4-chlorophenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(4-chlorobenzyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C17H21ClN3O2S2+ MolecularWeight: 398.95054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20ClN3O2S2/c1-20-8-10-21(11-9-20)25(22,23)16-6-7-17(19-12-16)24-13-14-2-4-15(18)5-3-14/h2-7,12H,8-11,13H2,1H3/p+1