2,5-bis(piperidin-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione dihydrochloride

Systemtic Name: 2,5-bis(piperidin-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione dihydrochloride Openeye Name: 2,5-bis(1-piperidylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione dihydrochloride CAS Name: 2,5-bis(1-piperidinylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione dihydrochloride IUPAC Name: 2,5-bis(piperidin-1-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione dihydrochloride Traditional Name: 2,5-bis(piperidinomethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione dihydrochloride Formula: C36H54Cl2N2O4 MolecularWeight: 649.73096

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CCC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCCCC4.Cl.Cl

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CCC(CN2CCCCC2)C(=O)C3=CC=C(C=C3)OCCC)CN4CCCCC4.Cl.Cl

InChI

InChI=1S/C36H52N2O4.2ClH/c1-3-25-41-33-17-13-29(14-18-33)35(39)31(27-37-21-7-5-8-22-37)11-12-32(28-38-23-9-6-10-24-38)36(40)30-15-19-34(20-16-30)42-26-4-2;;/h13-20,31-32H,3-12,21-28H2,1-2H3;2*1H