1-[6-(4-methoxyphenyl)sulfanylpyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium

Systemtic Name: 1-[6-(4-methoxyphenyl)sulfanylpyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(4-methoxyphenyl)sulfanyl-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(4-methoxyphenyl)thio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(4-methoxyphenyl)sulfanylpyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(4-methoxyphenyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C17H22N3O3S2+ MolecularWeight: 380.50488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O3S2/c1-19-9-11-20(12-10-19)25(21,22)16-7-8-17(18-13-16)24-15-5-3-14(23-2)4-6-15/h3-8,13H,9-12H2,1-2H3/p+1