1-hexadecyl-4-(4-hexadecyl-4-methyl-piperazin-4-ium-1-yl)sulfanyl-1-methyl-piperazin-1-ium dibromide

Systemtic Name: 1-hexadecyl-4-(4-hexadecyl-4-methyl-piperazin-4-ium-1-yl)sulfanyl-1-methyl-piperazin-1-ium dibromide Openeye Name: 1-hexadecyl-4-(4-hexadecyl-4-methyl-piperazin-4-ium-1-yl)sulfanyl-1-methyl-piperazin-1-ium dibromide CAS Name: 1-hexadecyl-4-[(4-hexadecyl-4-methyl-1-piperazin-4-iumyl)thio]-1-methylpiperazin-1-ium dibromide IUPAC Name: 1-hexadecyl-4-(4-hexadecyl-4-methylpiperazin-4-ium-1-yl)sulfanyl-1-methylpiperazin-1-ium dibromide Traditional Name: 1-cetyl-4-[(4-cetyl-4-methyl-piperazin-4-ium-1-yl)thio]-1-methyl-piperazin-1-ium dibromide Formula: C42H88Br2N4S MolecularWeight: 841.04792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1(CCN(CC1)SN2CC[N+](CC2)(C)CCCCCCCCCCCCCCCC)C.[Br-].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1(CCN(CC1)SN2CC[N+](CC2)(C)CCCCCCCCCCCCCCCC)C.[Br-].[Br-]

InChI

InChI=1S/C42H88N4S.2BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-37-45(3)39-33-43(34-40-45)47-44-35-41-46(4,42-36-44)38-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;;/h5-42H2,1-4H3;2*1H/q+2;;/p-2