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

Systemtic Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-diphenyl-hexane-1,6-dione dichloride Openeye Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-diphenyl-hexane-1,6-dione dichloride CAS Name: 2,5-bis(4-morpholin-4-iumylmethyl)-1,6-diphenylhexane-1,6-dione dichloride IUPAC Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-diphenylhexane-1,6-dione dichloride Traditional Name: 2,5-bis(morpholin-4-ium-4-ylmethyl)-1,6-diphenyl-hexane-1,6-dione dichloride Formula: C28H38Cl2N2O4 MolecularWeight: 537.51832

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC(CCC(C[NH+]2CCOCC2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1COCC[NH+]1CC(CCC(C[NH+]2CCOCC2)C(=O)C3=CC=CC=C3)C(=O)C4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C28H36N2O4.2ClH/c31-27(23-7-3-1-4-8-23)25(21-29-13-17-33-18-14-29)11-12-26(22-30-15-19-34-20-16-30)28(32)24-9-5-2-6-10-24;;/h1-10,25-26H,11-22H2;2*1H