1,6-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexane-1,6-dione dihydrochloride

Systemtic Name: 1,6-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexane-1,6-dione dihydrochloride Openeye Name: 1,6-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexane-1,6-dione dihydrochloride CAS Name: 1,6-bis[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]hexane-1,6-dione dihydrochloride IUPAC Name: 1,6-bis[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]hexane-1,6-dione dihydrochloride Traditional Name: 1,6-bis(4-piperonylpiperazino)hexane-1,6-dione dihydrochloride Formula: C30H40Cl2N4O6 MolecularWeight: 623.5678

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6.Cl.Cl

Isomeric SMILES

C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CCCCC(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6.Cl.Cl

InChI

InChI=1S/C30H38N4O6.2ClH/c35-29(33-13-9-31(10-14-33)19-23-5-7-25-27(17-23)39-21-37-25)3-1-2-4-30(36)34-15-11-32(12-16-34)20-24-6-8-26-28(18-24)40-22-38-26;;/h5-8,17-18H,1-4,9-16,19-22H2;2*1H