N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanehydrazide

Systemtic Name: N'-[(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanehydrazide Openeye Name: N'-[(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]acetohydrazide CAS Name: N'-[(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]-2-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]acetohydrazide IUPAC Name: N'-[(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]-2-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]acetohydrazide Traditional Name: N'-[(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)methyl]-2-(4-tosylpiperazin-1-ium-1-yl)acetohydrazide Formula: C20H24BrN4O4S+ MolecularWeight: 496.39796

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NNC=C3C=C(C=CC3=O)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC(=O)NNC=C3C=C(C=CC3=O)Br

InChI

InChI=1S/C20H23BrN4O4S/c1-15-2-5-18(6-3-15)30(28,29)25-10-8-24(9-11-25)14-20(27)23-22-13-16-12-17(21)4-7-19(16)26/h2-7,12-13,22H,8-11,14H2,1H3,(H,23,27)/p+1