4-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylsulfanylbutyl 4-methyl-4-(phenylmethyl)piperazin-4-ium-1-carbodithioate dibromide

Systemtic Name: 4-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylsulfanylbutyl 4-methyl-4-(phenylmethyl)piperazin-4-ium-1-carbodithioate dibromide Openeye Name: 4-(4-benzyl-4-methyl-piperazin-4-ium-1-carbothioyl)sulfanylbutyl 4-benzyl-4-methyl-piperazin-4-ium-1-carbodithioate dibromide CAS Name: 4-methyl-4-(phenylmethyl)-1-piperazin-4-iumcarbodithioic acid 4-[[[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]thio]butyl ester dibromide IUPAC Name: 4-(4-benzyl-4-methylpiperazin-4-ium-1-carbothioyl)sulfanylbutyl 4-benzyl-4-methylpiperazin-4-ium-1-carbodithioate dibromide Traditional Name: 4-benzyl-4-methyl-piperazin-4-ium-1-carbodithioic acid 4-[(4-benzyl-4-methyl-piperazin-4-ium-1-carbothioyl)thio]butyl ester dibromide Formula: C30H44Br2N4S4 MolecularWeight: 748.76516

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCN(CC1)C(=S)SCCCCSC(=S)N2CC[N+](CC2)(C)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-]

Isomeric SMILES

C[N+]1(CCN(CC1)C(=S)SCCCCSC(=S)N2CC[N+](CC2)(C)CC3=CC=CC=C3)CC4=CC=CC=C4.[Br-].[Br-]

InChI

InChI=1S/C30H44N4S4.2BrH/c1-33(25-27-11-5-3-6-12-27)19-15-31(16-20-33)29(35)37-23-9-10-24-38-30(36)32-17-21-34(2,22-18-32)26-28-13-7-4-8-14-28;;/h3-8,11-14H,9-10,15-26H2,1-2H3;2*1H/q+2;;/p-2