2-ethyl-1-(2-morpholin-4-ium-4-ylethyl)-3-oxidanyl-1H-pyridin-1-ium-4-one dibromide

Systemtic Name: 2-ethyl-1-(2-morpholin-4-ium-4-ylethyl)-3-oxidanyl-1H-pyridin-1-ium-4-one dibromide Openeye Name: 2-ethyl-3-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-1H-pyridin-1-ium-4-one dibromide CAS Name: 2-ethyl-3-hydroxy-1-[2-(4-morpholin-4-iumyl)ethyl]-1H-pyridin-1-ium-4-one dibromide IUPAC Name: 2-ethyl-3-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-1H-pyridin-1-ium-4-one dibromide Traditional Name: 2-ethyl-3-hydroxy-1-(2-morpholin-4-ium-4-ylethyl)-1H-pyridin-1-ium-4-one dibromide Formula: C13H22Br2N2O3 MolecularWeight: 414.13338

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)C=C[NH+]1CC[NH+]2CCOCC2)O.[Br-].[Br-]

Isomeric SMILES

CCC1=C(C(=O)C=C[NH+]1CC[NH+]2CCOCC2)O.[Br-].[Br-]

InChI

InChI=1S/C13H20N2O3.2BrH/c1-2-11-13(17)12(16)3-4-15(11)6-5-14-7-9-18-10-8-14;;/h3-4,17H,2,5-10H2,1H3;2*1H