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

Systemtic Name: 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate hydrobromide Openeye Name: 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate hydrobromide CAS Name: 6-(4-methyl-1-piperazinyl)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol hydrate hydrobromide IUPAC Name: 6-(4-methylpiperazin-1-yl)-5,6-dihydrobenzo[b][1]benzothiepine-2,3-diol hydrate hydrobromide Traditional Name: 6-(4-methylpiperazino)-5,6-dihydrobenzo[b][1]benzothiepin-2,3-diol hydrate hydrobromide Formula: C19H25BrN2O3S MolecularWeight: 441.3824

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H22N2O2S.BrH.H2O/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;1H;1H2