4-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]xanthen-9-one dihydrochloride

Systemtic Name: 4-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]xanthen-9-one dihydrochloride Openeye Name: 4-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]xanthen-9-one dihydrochloride CAS Name: 4-[2-[4-(2-phenoxyethyl)-1-piperazinyl]ethoxy]-9-xanthenone dihydrochloride IUPAC Name: 4-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]xanthen-9-one dihydrochloride Traditional Name: 4-[2-[4-(2-phenoxyethyl)piperazino]ethoxy]xanthone dihydrochloride Formula: C27H30Cl2N2O4 MolecularWeight: 517.4441

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCOC2=CC=CC=C2)CCOC3=CC=CC4=C3OC5=CC=CC=C5C4=O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CCOC3=CC=CC4=C3OC5=CC=CC=C5C4=O.Cl.Cl

InChI

InChI=1S/C27H28N2O4.2ClH/c30-26-22-9-4-5-11-24(22)33-27-23(26)10-6-12-25(27)32-20-18-29-15-13-28(14-16-29)17-19-31-21-7-2-1-3-8-21;;/h1-12H,13-20H2;2*1H