3-oxidanylidene-3-pyrazin-2-yl-2-pyridin-1-ium-4-yl-propanamide bromide

Systemtic Name: 3-oxidanylidene-3-pyrazin-2-yl-2-pyridin-1-ium-4-yl-propanamide bromide Openeye Name: 3-oxo-3-pyrazin-2-yl-2-pyridin-1-ium-4-yl-propanamide bromide CAS Name: 3-oxo-3-(2-pyrazinyl)-2-(4-pyridin-1-iumyl)propanamide bromide IUPAC Name: 3-oxo-3-pyrazin-2-yl-2-pyridin-1-ium-4-ylpropanamide bromide Traditional Name: 3-keto-3-pyrazin-2-yl-2-pyridin-1-ium-4-yl-propionamide bromide Formula: C12H11BrN4O2 MolecularWeight: 323.14534

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Descriptors Computed from Structure

Canonical SMILES:

C1=C[NH+]=CC=C1C(C(=O)C2=NC=CN=C2)C(=O)N.[Br-]

Isomeric SMILES

C1=C[NH+]=CC=C1C(C(=O)C2=NC=CN=C2)C(=O)N.[Br-]

InChI

InChI=1S/C12H10N4O2.BrH/c13-12(18)10(8-1-3-14-4-2-8)11(17)9-7-15-5-6-16-9;/h1-7,10H,(H2,13,18);1H