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

Systemtic Name: 2-[2-oxidanyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one dihydrochloride Openeye Name: 2-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one dihydrochloride CAS Name: 2-[2-hydroxy-3-[4-(2-phenoxyethyl)-1-piperazinyl]propoxy]-9-xanthenone dihydrochloride IUPAC Name: 2-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one dihydrochloride Traditional Name: 2-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazino]propoxy]xanthone dihydrochloride Formula: C28H32Cl2N2O5 MolecularWeight: 547.47008

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CC(COC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O)O.Cl.Cl

InChI

InChI=1S/C28H30N2O5.2ClH/c31-21(19-30-14-12-29(13-15-30)16-17-33-22-6-2-1-3-7-22)20-34-23-10-11-27-25(18-23)28(32)24-8-4-5-9-26(24)35-27;;/h1-11,18,21,31H,12-17,19-20H2;2*1H