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

Systemtic Name: 2-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]xanthen-9-one dihydrochloride Openeye Name: 2-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]xanthen-9-one dihydrochloride CAS Name: 2-[2-[4-(2-phenoxyethyl)-1-piperazinyl]ethoxy]-9-xanthenone dihydrochloride IUPAC Name: 2-[2-[4-(2-phenoxyethyl)piperazin-1-yl]ethoxy]xanthen-9-one dihydrochloride Traditional Name: 2-[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=CC4=C(C=C3)OC5=CC=CC=C5C4=O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCOC2=CC=CC=C2)CCOC3=CC4=C(C=C3)OC5=CC=CC=C5C4=O.Cl.Cl

InChI

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