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

Systemtic Name: 1-[6-(4-bromophenyl)sulfanylpyridin-3-yl]sulfonyl-4-methyl-piperazin-4-ium Openeye Name: 1-[[6-(4-bromophenyl)sulfanyl-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-[[6-[(4-bromophenyl)thio]-3-pyridinyl]sulfonyl]-4-methylpiperazin-4-ium IUPAC Name: 1-[6-(4-bromophenyl)sulfanylpyridin-3-yl]sulfonyl-4-methylpiperazin-4-ium Traditional Name: 1-[[6-[(4-bromophenyl)thio]-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C16H19BrN3O2S2+ MolecularWeight: 429.37496

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C16H18BrN3O2S2/c1-19-8-10-20(11-9-19)24(21,22)15-6-7-16(18-12-15)23-14-4-2-13(17)3-5-14/h2-7,12H,8-11H2,1H3/p+1