(5-oxidanylcyclohexa-1,5-dien-1-yl)-propanoyl-azanium dibromide

Systemtic Name: (5-oxidanylcyclohexa-1,5-dien-1-yl)-propanoyl-azanium dibromide Openeye Name: (5-hydroxycyclohexa-1,5-dien-1-yl)-propanoyl-ammonium dibromide CAS Name: (5-hydroxy-1-cyclohexa-1,5-dienyl)-(1-oxopropyl)ammonium dibromide IUPAC Name: (5-hydroxycyclohexa-1,5-dien-1-yl)-propanoylazanium dibromide Traditional Name: (5-hydroxycyclohexa-1,5-dien-1-yl)-propionyl-ammonium dibromide Formula: C9H14Br2NO2- MolecularWeight: 328.02096

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)[NH2+]C1=CCCC(=C1)O.[Br-].[Br-]

Isomeric SMILES

CCC(=O)[NH2+]C1=CCCC(=C1)O.[Br-].[Br-]

InChI

InChI=1S/C9H13NO2.2BrH/c1-2-9(12)10-7-4-3-5-8(11)6-7;;/h4,6,11H,2-3,5H2,1H3,(H,10,12);2*1H/p-1