4-[2-(3-methylimidazol-3-ium-1-yl)ethanoyl]benzamide bromide

Systemtic Name: 4-[2-(3-methylimidazol-3-ium-1-yl)ethanoyl]benzamide bromide Openeye Name: 4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]benzamide bromide CAS Name: 4-[2-(3-methyl-1-imidazol-3-iumyl)-1-oxoethyl]benzamide bromide IUPAC Name: 4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]benzamide bromide Traditional Name: 4-[2-(3-methylimidazol-3-ium-1-yl)acetyl]benzamide bromide Formula: C13H14BrN3O2 MolecularWeight: 324.17316

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)C(=O)N.[Br-]

Isomeric SMILES

C[N+]1=CN(C=C1)CC(=O)C2=CC=C(C=C2)C(=O)N.[Br-]

InChI

InChI=1S/C13H13N3O2.BrH/c1-15-6-7-16(9-15)8-12(17)10-2-4-11(5-3-10)13(14)18;/h2-7,9H,8H2,1H3,(H-,14,18);1H