2-[2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione dihydrochloride

Systemtic Name: 2-[2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-oxidanyl-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione dihydrochloride Openeye Name: 2-[2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione dihydrochloride CAS Name: 2-[2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]-1-piperazinyl]ethyl]benzo[de]isoquinoline-1,3-dione dihydrochloride IUPAC Name: 2-[2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxypropyl]piperazin-1-yl]ethyl]benzo[de]isoquinoline-1,3-dione dihydrochloride Traditional Name: 2-[2-[4-[3-(1,3-benzodioxol-5-yloxy)-2-hydroxy-propyl]piperazino]ethyl]benzo[de]isoquinoline-1,3-quinone dihydrochloride Formula: C28H31Cl2N3O6 MolecularWeight: 576.46824

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC6=C(C=C5)OCO6)O.Cl.Cl

Isomeric SMILES

C1CN(CCN1CCN2C(=O)C3=CC=CC4=C3C(=CC=C4)C2=O)CC(COC5=CC6=C(C=C5)OCO6)O.Cl.Cl

InChI

InChI=1S/C28H29N3O6.2ClH/c32-20(17-35-21-7-8-24-25(15-21)37-18-36-24)16-30-11-9-29(10-12-30)13-14-31-27(33)22-5-1-3-19-4-2-6-23(26(19)22)28(31)34;;/h1-8,15,20,32H,9-14,16-18H2;2*1H