1,5-bis(4-ethoxyphenyl)-2,4-bis(morpholin-4-ium-4-ylmethyl)pentane-1,5-dione dichloride

Systemtic Name: 1,5-bis(4-ethoxyphenyl)-2,4-bis(morpholin-4-ium-4-ylmethyl)pentane-1,5-dione dichloride Openeye Name: 1,5-bis(4-ethoxyphenyl)-2,4-bis(morpholin-4-ium-4-ylmethyl)pentane-1,5-dione dichloride CAS Name: 1,5-bis(4-ethoxyphenyl)-2,4-bis(4-morpholin-4-iumylmethyl)pentane-1,5-dione dichloride IUPAC Name: 1,5-bis(4-ethoxyphenyl)-2,4-bis(morpholin-4-ium-4-ylmethyl)pentane-1,5-dione dichloride Traditional Name: 2,4-bis(morpholin-4-ium-4-ylmethyl)-1,5-bis(p-phenetyl)pentane-1,5-dione dichloride Formula: C31H44Cl2N2O6 MolecularWeight: 611.59686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)C(CC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OCC)C[NH+]4CCOCC4.[Cl-].[Cl-]

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)C(CC(C[NH+]2CCOCC2)C(=O)C3=CC=C(C=C3)OCC)C[NH+]4CCOCC4.[Cl-].[Cl-]

InChI

InChI=1S/C31H42N2O6.2ClH/c1-3-38-28-9-5-24(6-10-28)30(34)26(22-32-13-17-36-18-14-32)21-27(23-33-15-19-37-20-16-33)31(35)25-7-11-29(12-8-25)39-4-2;;/h5-12,26-27H,3-4,13-23H2,1-2H3;2*1H