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

Systemtic Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-bis(4-pentoxyphenyl)hexane-1,6-dione Openeye Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-bis(4-pentoxyphenyl)hexane-1,6-dione CAS Name: 2,5-bis(4-morpholin-4-iumylmethyl)-1,6-bis(4-pentoxyphenyl)hexane-1,6-dione IUPAC Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-bis(4-pentoxyphenyl)hexane-1,6-dione Traditional Name: 1,6-bis(4-amoxyphenyl)-2,5-bis(morpholin-4-ium-4-ylmethyl)hexane-1,6-dione Formula: C38H58N2O6+2 MolecularWeight: 638.87692

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OCCCCC)C[NH+]4CCOCC4

Isomeric SMILES

CCCCCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OCCCCC)C[NH+]4CCOCC4

InChI

InChI=1S/C38H56N2O6/c1-3-5-7-23-45-35-15-11-31(12-16-35)37(41)33(29-39-19-25-43-26-20-39)9-10-34(30-40-21-27-44-28-22-40)38(42)32-13-17-36(18-14-32)46-24-8-6-4-2/h11-18,33-34H,3-10,19-30H2,1-2H3/p+2