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

Systemtic Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione Openeye Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione CAS Name: 2,5-bis(4-morpholin-4-iumylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione IUPAC Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione Traditional Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-bis(4-propoxyphenyl)hexane-1,6-dione Formula: C34H50N2O6+2 MolecularWeight: 582.7706

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OCCC)C[NH+]4CCOCC4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C(=O)C(CCC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OCCC)C[NH+]4CCOCC4

InChI

InChI=1S/C34H48N2O6/c1-3-19-41-31-11-7-27(8-12-31)33(37)29(25-35-15-21-39-22-16-35)5-6-30(26-36-17-23-40-24-18-36)34(38)28-9-13-32(14-10-28)42-20-4-2/h7-14,29-30H,3-6,15-26H2,1-2H3/p+2