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

Systemtic Name: 4-[2-oxidanyl-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one dihydrochloride Openeye Name: 4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one dihydrochloride CAS Name: 4-[2-hydroxy-3-[4-(2-phenoxyethyl)-1-piperazinyl]propoxy]-9-xanthenone dihydrochloride IUPAC Name: 4-[2-hydroxy-3-[4-(2-phenoxyethyl)piperazin-1-yl]propoxy]xanthen-9-one dihydrochloride Traditional Name: 4-[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=CC=CC4=C3OC5=CC=CC=C5C4=O)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CC(COC3=CC=CC4=C3OC5=CC=CC=C5C4=O)O.Cl.Cl

InChI

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