1-methyl-4-[6-(2-phenoxyethylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-(2-phenoxyethylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-(2-phenoxyethylsulfanyl)-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-(2-phenoxyethylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-(2-phenoxyethylsulfanyl)pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-(2-phenoxyethylthio)-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C18H24N3O3S2+ MolecularWeight: 394.53146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCCOC3=CC=CC=C3

InChI

InChI=1S/C18H23N3O3S2/c1-20-9-11-21(12-10-20)26(22,23)17-7-8-18(19-15-17)25-14-13-24-16-5-3-2-4-6-16/h2-8,15H,9-14H2,1H3/p+1