1-[2,4-bis(3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy)phenyl]ethanone dichloride

Systemtic Name: 1-[2,4-bis(3-morpholin-4-ium-4-yl-2-oxidanyl-propoxy)phenyl]ethanone dichloride Openeye Name: 1-[2,4-bis(2-hydroxy-3-morpholin-4-ium-4-yl-propoxy)phenyl]ethanone dichloride CAS Name: 1-[2,4-bis[2-hydroxy-3-(4-morpholin-4-iumyl)propoxy]phenyl]ethanone dichloride IUPAC Name: 1-[2,4-bis(2-hydroxy-3-morpholin-4-ium-4-ylpropoxy)phenyl]ethanone dichloride Traditional Name: 1-[2,4-bis(2-hydroxy-3-morpholin-4-ium-4-yl-propoxy)phenyl]ethanone dichloride Formula: C22H36Cl2N2O7 MolecularWeight: 511.43644

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=C(C=C(C=C1)OCC(C[NH+]2CCOCC2)O)OCC(C[NH+]3CCOCC3)O.[Cl-].[Cl-]

Isomeric SMILES

CC(=O)C1=C(C=C(C=C1)OCC(C[NH+]2CCOCC2)O)OCC(C[NH+]3CCOCC3)O.[Cl-].[Cl-]

InChI

InChI=1S/C22H34N2O7.2ClH/c1-17(25)21-3-2-20(30-15-18(26)13-23-4-8-28-9-5-23)12-22(21)31-16-19(27)14-24-6-10-29-11-7-24;;/h2-3,12,18-19,26-27H,4-11,13-16H2,1H3;2*1H