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

Systemtic Name: 4-[4-methyl-4-(phenylmethyl)piperazin-4-ium-1-yl]carbothioylsulfanylbutyl 4-methyl-4-(phenylmethyl)piperazin-4-ium-1-carbodithioate Openeye Name: 4-(4-benzyl-4-methyl-piperazin-4-ium-1-carbothioyl)sulfanylbutyl 4-benzyl-4-methyl-piperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-4-(phenylmethyl)-1-piperazin-4-iumcarbodithioic acid 4-[[[4-methyl-4-(phenylmethyl)-1-piperazin-4-iumyl]-sulfanylidenemethyl]thio]butyl ester IUPAC Name: 4-(4-benzyl-4-methylpiperazin-4-ium-1-carbothioyl)sulfanylbutyl 4-benzyl-4-methylpiperazin-4-ium-1-carbodithioate 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 Formula: C30H44N4S4+2 MolecularWeight: 588.95716

Click to see the large picture

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

Isomeric SMILES

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

InChI

InChI=1S/C30H44N4S4/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/q+2