1,6-bis(4-butoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione

Systemtic Name: 1,6-bis(4-butoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione Openeye Name: 1,6-bis(4-butoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione CAS Name: 1,6-bis(4-butoxyphenyl)-2,5-bis(4-morpholin-4-iumylmethyl)hexane-1,6-dione IUPAC Name: 1,6-bis(4-butoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione Traditional Name: 1,6-bis(4-butoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione Formula: C36H54N2O6+2 MolecularWeight: 610.82376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OCCCC)C[NH+]4CCOCC4

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OCCCC)C[NH+]4CCOCC4

InChI

InChI=1S/C36H52N2O6/c1-3-5-21-43-33-13-9-29(10-14-33)35(39)31(27-37-17-23-41-24-18-37)7-8-32(28-38-19-25-42-26-20-38)36(40)30-11-15-34(16-12-30)44-22-6-4-2/h9-16,31-32H,3-8,17-28H2,1-2H3/p+2