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

Systemtic Name: 2-methyl-3-oxidanyl-1-(2-pyridin-1-ium-2-ylethyl)-1H-pyridin-1-ium-4-one dibromide Openeye Name: 3-hydroxy-2-methyl-1-(2-pyridin-1-ium-2-ylethyl)-1H-pyridin-1-ium-4-one dibromide CAS Name: 3-hydroxy-2-methyl-1-[2-(2-pyridin-1-iumyl)ethyl]-1H-pyridin-1-ium-4-one dibromide IUPAC Name: 3-hydroxy-2-methyl-1-(2-pyridin-1-ium-2-ylethyl)-1H-pyridin-1-ium-4-one dibromide Traditional Name: 3-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=C(C(=O)C=C[NH+]1CCC2=CC=CC=[NH+]2)O.[Br-].[Br-]

Isomeric SMILES

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

InChI

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