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

Systemtic Name: 1-methyl-4-[6-[(4-methylphenyl)methylsulfanyl]pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-(p-tolylmethylsulfanyl)-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-[(4-methylphenyl)methylthio]-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-[(4-methylphenyl)methylsulfanyl]pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-[(4-methylbenzyl)thio]-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C18H24N3O2S2+ MolecularWeight: 378.53206

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC=C(C=C2)S(=O)(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C18H23N3O2S2/c1-15-3-5-16(6-4-15)14-24-18-8-7-17(13-19-18)25(22,23)21-11-9-20(2)10-12-21/h3-8,13H,9-12,14H2,1-2H3/p+1