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

Systemtic Name: 2-methyl-5-oxidanyl-1-(2-pyridin-1-ium-2-ylethyl)-1H-pyridin-1-ium-4-one dibromide Openeye Name: 5-hydroxy-2-methyl-1-(2-pyridin-1-ium-2-ylethyl)-1H-pyridin-1-ium-4-one dibromide CAS Name: 5-hydroxy-2-methyl-1-[2-(2-pyridin-1-iumyl)ethyl]-1H-pyridin-1-ium-4-one dibromide IUPAC Name: 5-hydroxy-2-methyl-1-(2-pyridin-1-ium-2-ylethyl)-1H-pyridin-1-ium-4-one dibromide Traditional Name: 5-hydroxy-2-methyl-1-(2-pyridin-1-ium-2-ylethyl)-1H-pyridin-1-ium-4-one dibromide Formula: C13H16Br2N2O2 MolecularWeight: 392.08634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C[NH+]1CCC2=CC=CC=[NH+]2)O.[Br-].[Br-]

Isomeric SMILES

CC1=CC(=O)C(=C[NH+]1CCC2=CC=CC=[NH+]2)O.[Br-].[Br-]

InChI

InChI=1S/C13H14N2O2.2BrH/c1-10-8-12(16)13(17)9-15(10)7-5-11-4-2-3-6-14-11;;/h2-4,6,8-9,17H,5,7H2,1H3;2*1H