2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-4,5-dione hydrate dihydrochloride

Systemtic Name: 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-4,5-dione hydrate dihydrochloride Openeye Name: 2-[4-[4-(2-pyridyl)piperazin-1-yl]butyl]thiazolidine-4,5-dione hydrate dihydrochloride CAS Name: 2-[4-[4-(2-pyridinyl)-1-piperazinyl]butyl]thiazolidine-4,5-dione hydrate dihydrochloride IUPAC Name: 2-[4-(4-pyridin-2-ylpiperazin-1-yl)butyl]-1,3-thiazolidine-4,5-dione hydrate dihydrochloride Traditional Name: 2-[4-[4-(2-pyridyl)piperazino]butyl]thiazolidine-4,5-quinone hydrate dihydrochloride Formula: C16H26Cl2N4O3S MolecularWeight: 425.37364

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCCCC2NC(=O)C(=O)S2)C3=CC=CC=N3.O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCCCC2NC(=O)C(=O)S2)C3=CC=CC=N3.O.Cl.Cl

InChI

InChI=1S/C16H22N4O2S.2ClH.H2O/c21-15-16(22)23-14(18-15)6-2-4-8-19-9-11-20(12-10-19)13-5-1-3-7-17-13;;;/h1,3,5,7,14H,2,4,6,8-12H2,(H,18,21);2*1H;1H2