4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]xanthen-9-one dihydrochloride

Systemtic Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-oxidanyl-propoxy]xanthen-9-one dihydrochloride Openeye Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxy-propoxy]xanthen-9-one dihydrochloride CAS Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]-2-hydroxypropoxy]-9-xanthenone dihydrochloride IUPAC Name: 4-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-hydroxypropoxy]xanthen-9-one dihydrochloride Traditional Name: 4-[2-hydroxy-3-(4-piperonylpiperazino)propoxy]xanthone dihydrochloride Formula: C28H30Cl2N2O6 MolecularWeight: 561.4536

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=CC5=C4OC6=CC=CC=C6C5=O)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)CC(COC4=CC=CC5=C4OC6=CC=CC=C6C5=O)O.Cl.Cl

InChI

InChI=1S/C28H28N2O6.2ClH/c31-20(16-30-12-10-29(11-13-30)15-19-8-9-24-26(14-19)35-18-34-24)17-33-25-7-3-5-22-27(32)21-4-1-2-6-23(21)36-28(22)25;;/h1-9,14,20,31H,10-13,15-18H2;2*1H