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

Systemtic Name: 2-methyl-5-oxidanyl-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide Openeye Name: 5-hydroxy-2-methyl-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide CAS Name: 5-hydroxy-2-methyl-1-[2-(1-piperidin-1-iumyl)ethyl]-1H-pyridin-1-ium-4-one dibromide IUPAC Name: 5-hydroxy-2-methyl-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide Traditional Name: 5-hydroxy-2-methyl-1-(2-piperidin-1-ium-1-ylethyl)-1H-pyridin-1-ium-4-one dibromide Formula: C13H22Br2N2O2 MolecularWeight: 398.13398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=C[NH+]1CC[NH+]2CCCCC2)O.[Br-].[Br-]

Isomeric SMILES

CC1=CC(=O)C(=C[NH+]1CC[NH+]2CCCCC2)O.[Br-].[Br-]

InChI

InChI=1S/C13H20N2O2.2BrH/c1-11-9-12(16)13(17)10-15(11)8-7-14-5-3-2-4-6-14;;/h9-10,17H,2-8H2,1H3;2*1H