1,8-bis(4-butoxyphenyl)-2,7-di(piperidin-1-yl)octane-1,8-dione dihydrochloride

Systemtic Name: 1,8-bis(4-butoxyphenyl)-2,7-di(piperidin-1-yl)octane-1,8-dione dihydrochloride Openeye Name: 1,8-bis(4-butoxyphenyl)-2,7-bis(1-piperidyl)octane-1,8-dione dihydrochloride CAS Name: 1,8-bis(4-butoxyphenyl)-2,7-bis(1-piperidinyl)octane-1,8-dione dihydrochloride IUPAC Name: 1,8-bis(4-butoxyphenyl)-2,7-di(piperidin-1-yl)octane-1,8-dione dihydrochloride Traditional Name: 1,8-bis(4-butoxyphenyl)-2,7-dipiperidino-octane-1,8-dione dihydrochloride Formula: C38H58Cl2N2O4 MolecularWeight: 677.78412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(C(=O)C2=CC=C(C=C2)OCCCC)N3CCCCC3)N4CCCCC4.Cl.Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(CCCCC(C(=O)C2=CC=C(C=C2)OCCCC)N3CCCCC3)N4CCCCC4.Cl.Cl

InChI

InChI=1S/C38H56N2O4.2ClH/c1-3-5-29-43-33-21-17-31(18-22-33)37(41)35(39-25-11-7-12-26-39)15-9-10-16-36(40-27-13-8-14-28-40)38(42)32-19-23-34(24-20-32)44-30-6-4-2;;/h17-24,35-36H,3-16,25-30H2,1-2H3;2*1H