2-methyl-1-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-3-oxidanyl-1H-pyridin-1-ium-4-one dibromide

Systemtic Name: 2-methyl-1-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-3-oxidanyl-1H-pyridin-1-ium-4-one dibromide Openeye Name: 3-hydroxy-2-methyl-1-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-1H-pyridin-1-ium-4-one dibromide CAS Name: 3-hydroxy-2-methyl-1-[2-(1-methyl-2-pyrrolidin-1-iumyl)ethyl]-1H-pyridin-1-ium-4-one dibromide IUPAC Name: 3-hydroxy-2-methyl-1-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-1H-pyridin-1-ium-4-one dibromide Traditional Name: 3-hydroxy-2-methyl-1-[2-(1-methylpyrrolidin-1-ium-2-yl)ethyl]-1H-pyridin-1-ium-4-one dibromide Formula: C13H22Br2N2O2 MolecularWeight: 398.13398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C=C[NH+]1CCC2CCC[NH+]2C)O.[Br-].[Br-]

Isomeric SMILES

CC1=C(C(=O)C=C[NH+]1CCC2CCC[NH+]2C)O.[Br-].[Br-]

InChI

InChI=1S/C13H20N2O2.2BrH/c1-10-13(17)12(16)6-9-15(10)8-5-11-4-3-7-14(11)2;;/h6,9,11,17H,3-5,7-8H2,1-2H3;2*1H