ethyl 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoate bromide

Systemtic Name: ethyl 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoate bromide Openeye Name: ethyl 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)acetate bromide CAS Name: 2-(2-amino-3-methyl-1-benzimidazol-3-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(2-amino-3-methylbenzimidazol-3-ium-1-yl)acetate bromide Traditional Name: 2-(2-amino-3-methyl-benzimidazol-3-ium-1-yl)acetic acid ethyl ester bromide Formula: C12H16BrN3O2 MolecularWeight: 314.17834

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)C.[Br-]

Isomeric SMILES

CCOC(=O)CN1C2=CC=CC=C2[N+](=C1N)C.[Br-]

InChI

InChI=1S/C12H15N3O2.BrH/c1-3-17-11(16)8-15-10-7-5-4-6-9(10)14(2)12(15)13;/h4-7,13H,3,8H2,1-2H3;1H