2-methyl-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanyl-1H-pyridin-1-ium-4-one dibromide

Systemtic Name: 2-methyl-1-(2-morpholin-4-ium-4-ylethyl)-5-oxidanyl-1H-pyridin-1-ium-4-one dibromide Openeye Name: 5-hydroxy-2-methyl-1-(2-morpholin-4-ium-4-ylethyl)-1H-pyridin-1-ium-4-one dibromide CAS Name: 5-hydroxy-2-methyl-1-[2-(4-morpholin-4-iumyl)ethyl]-1H-pyridin-1-ium-4-one dibromide IUPAC Name: 5-hydroxy-2-methyl-1-(2-morpholin-4-ium-4-ylethyl)-1H-pyridin-1-ium-4-one dibromide Traditional Name: 5-hydroxy-2-methyl-1-(2-morpholin-4-ium-4-ylethyl)-1H-pyridin-1-ium-4-one dibromide Formula: C12H20Br2N2O3 MolecularWeight: 400.1068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C[NH+]1CC[NH+]2CCOCC2)O.[Br-].[Br-]

Isomeric SMILES

CC1=CC(=O)C(=C[NH+]1CC[NH+]2CCOCC2)O.[Br-].[Br-]

InChI

InChI=1S/C12H18N2O3.2BrH/c1-10-8-11(15)12(16)9-14(10)3-2-13-4-6-17-7-5-13;;/h8-9,16H,2-7H2,1H3;2*1H