1-[4-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one dihydrochloride

Systemtic Name: 1-[4-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one dihydrochloride Openeye Name: 1-[4-[2-hydroxy-3-[4-(2-pyridyl)piperazin-1-yl]propoxy]phenyl]propan-1-one dihydrochloride CAS Name: 1-[4-[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]phenyl]-1-propanone dihydrochloride IUPAC Name: 1-[4-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]phenyl]propan-1-one dihydrochloride Traditional Name: 1-[4-[2-hydroxy-3-[4-(2-pyridyl)piperazino]propoxy]phenyl]propan-1-one dihydrochloride Formula: C21H29Cl2N3O3 MolecularWeight: 442.37926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl.Cl

Isomeric SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=N3)O.Cl.Cl

InChI

InChI=1S/C21H27N3O3.2ClH/c1-2-20(26)17-6-8-19(9-7-17)27-16-18(25)15-23-11-13-24(14-12-23)21-5-3-4-10-22-21;;/h3-10,18,25H,2,11-16H2,1H3;2*1H