1-(4-bromanylbutyl)-1H-pyridin-1-ium-4-one bromide

Systemtic Name: 1-(4-bromanylbutyl)-1H-pyridin-1-ium-4-one bromide Openeye Name: 1-(4-bromobutyl)-1H-pyridin-1-ium-4-one bromide CAS Name: 1-(4-bromobutyl)-1H-pyridin-1-ium-4-one bromide IUPAC Name: 1-(4-bromobutyl)-1H-pyridin-1-ium-4-one bromide Traditional Name: 1-(4-bromobutyl)-1H-pyridin-1-ium-4-one bromide Formula: C9H13Br2NO MolecularWeight: 311.01362

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+](C=CC1=O)CCCCBr.[Br-]

Isomeric SMILES

C1=C[NH+](C=CC1=O)CCCCBr.[Br-]

InChI

InChI=1S/C9H12BrNO.BrH/c10-5-1-2-6-11-7-3-9(12)4-8-11;/h3-4,7-8H,1-2,5-6H2;1H