5,6,7,8-tetrahydro-2H-cinnolin-1-ium-3-one bromide

Systemtic Name: 5,6,7,8-tetrahydro-2H-cinnolin-1-ium-3-one bromide Openeye Name: 5,6,7,8-tetrahydro-2H-cinnolin-1-ium-3-one bromide CAS Name: 5,6,7,8-tetrahydro-2H-cinnolin-1-ium-3-one bromide IUPAC Name: 5,6,7,8-tetrahydro-2H-cinnolin-1-ium-3-one bromide Traditional Name: 5,6,7,8-tetrahydro-2H-cinnolin-1-ium-3-one bromide Formula: C8H11BrN2O MolecularWeight: 231.08974

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=[NH+]NC(=O)C=C2C1.[Br-]

Isomeric SMILES

C1CCC2=[NH+]NC(=O)C=C2C1.[Br-]

InChI

InChI=1S/C8H10N2O.BrH/c11-8-5-6-3-1-2-4-7(6)9-10-8;/h5H,1-4H2,(H,10,11);1H