2,7-bis(piperidin-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride

Systemtic Name: 2,7-bis(piperidin-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Openeye Name: 2,7-bis(1-piperidylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride CAS Name: 2,7-bis(1-piperidinylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride IUPAC Name: 2,7-bis(piperidin-1-ylmethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Traditional Name: 2,7-bis(piperidinomethyl)-1,8-bis(4-propoxyphenyl)octane-1,8-dione dihydrochloride Formula: C38H58Cl2N2O4 MolecularWeight: 677.78412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H56N2O4.2ClH/c1-3-27-43-35-19-15-31(16-20-35)37(41)33(29-39-23-9-5-10-24-39)13-7-8-14-34(30-40-25-11-6-12-26-40)38(42)32-17-21-36(22-18-32)44-28-4-2;;/h15-22,33-34H,3-14,23-30H2,1-2H3;2*1H