6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrate dihydrobromide

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrate dihydrobromide Openeye Name: 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrate dihydrobromide CAS Name: 6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol dihydrate dihydrobromide IUPAC Name: 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol dihydrate dihydrobromide Traditional Name: 6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol dihydrate dihydrobromide Formula: C19H28Br2N2O4S MolecularWeight: 540.30962

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=CC=CC=C24)O)O.O.O.Br.Br

Isomeric SMILES

CN1CCN(CC1)C2CC3=CC(=C(C=C3SC4=CC=CC=C24)O)O.O.O.Br.Br

InChI

InChI=1S/C19H22N2O2S.2BrH.2H2O/c1-20-6-8-21(9-7-20)15-10-13-11-16(22)17(23)12-19(13)24-18-5-3-2-4-14(15)18;;;;/h2-5,11-12,15,22-23H,6-10H2,1H3;2*1H;2*1H2