2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanyl-propoxy]xanthen-9-one dihydrochloride

Systemtic Name: 2-[3-[4-(2-hydroxyethyl)piperazin-1-yl]-2-oxidanyl-propoxy]xanthen-9-one dihydrochloride Openeye Name: 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]xanthen-9-one dihydrochloride CAS Name: 2-[2-hydroxy-3-[4-(2-hydroxyethyl)-1-piperazinyl]propoxy]-9-xanthenone dihydrochloride IUPAC Name: 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]xanthen-9-one dihydrochloride Traditional Name: 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazino]propoxy]xanthone dihydrochloride Formula: C22H28Cl2N2O5 MolecularWeight: 471.37412

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCO)CC(COC2=CC3=C(C=C2)OC4=CC=CC=C4C3=O)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCO)CC(COC2=CC3=C(C=C2)OC4=CC=CC=C4C3=O)O.Cl.Cl

InChI

InChI=1S/C22H26N2O5.2ClH/c25-12-11-23-7-9-24(10-8-23)14-16(26)15-28-17-5-6-21-19(13-17)22(27)18-3-1-2-4-20(18)29-21;;/h1-6,13,16,25-26H,7-12,14-15H2;2*1H