1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylsulfanyl)ethyl]-4-methyl-piperazine dihydrobromide

Systemtic Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylsulfanyl)ethyl]-4-methyl-piperazine dihydrobromide Openeye Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylsulfanyl)ethyl]-4-methyl-piperazine dihydrobromide CAS Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylthio)ethyl]-4-methylpiperazine dihydrobromide IUPAC Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylsulfanyl)ethyl]-4-methylpiperazine dihydrobromide Traditional Name: 1-[2-(5,6-dihydrobenzo[b][1]benzoxepin-5-ylthio)ethyl]-4-methyl-piperazine dihydrobromide Formula: C21H28Br2N2OS MolecularWeight: 516.33282

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CCSC2CC3=CC=CC=C3OC4=CC=CC=C24.Br.Br

Isomeric SMILES

CN1CCN(CC1)CCSC2CC3=CC=CC=C3OC4=CC=CC=C24.Br.Br

InChI

InChI=1S/C21H26N2OS.2BrH/c1-22-10-12-23(13-11-22)14-15-25-21-16-17-6-2-4-8-19(17)24-20-9-5-3-7-18(20)21;;/h2-9,21H,10-16H2,1H3;2*1H