2-methyl-6-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]xanthen-9-one dihydrochloride

Systemtic Name: 2-methyl-6-[2-oxidanyl-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]xanthen-9-one dihydrochloride Openeye Name: 6-[2-hydroxy-3-[4-(2-pyridyl)piperazin-1-yl]propoxy]-2-methyl-xanthen-9-one dihydrochloride CAS Name: 6-[2-hydroxy-3-[4-(2-pyridinyl)-1-piperazinyl]propoxy]-2-methyl-9-xanthenone dihydrochloride IUPAC Name: 6-[2-hydroxy-3-(4-pyridin-2-ylpiperazin-1-yl)propoxy]-2-methylxanthen-9-one dihydrochloride Traditional Name: 6-[2-hydroxy-3-[4-(2-pyridyl)piperazino]propoxy]-2-methyl-xanthone dihydrochloride Formula: C26H29Cl2N3O4 MolecularWeight: 518.43216

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)OCC(CN4CCN(CC4)C5=CC=CC=N5)O.Cl.Cl

Isomeric SMILES

CC1=CC2=C(C=C1)OC3=C(C2=O)C=CC(=C3)OCC(CN4CCN(CC4)C5=CC=CC=N5)O.Cl.Cl

InChI

InChI=1S/C26H27N3O4.2ClH/c1-18-5-8-23-22(14-18)26(31)21-7-6-20(15-24(21)33-23)32-17-19(30)16-28-10-12-29(13-11-28)25-4-2-3-9-27-25;;/h2-9,14-15,19,30H,10-13,16-17H2,1H3;2*1H