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

Systemtic Name: methyl 2-(2-azanyl-3-methyl-benzimidazol-3-ium-1-yl)ethanoate bromide Openeye Name: methyl 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 methyl ester bromide IUPAC Name: methyl 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 methyl ester bromide Formula: C11H14BrN3O2 MolecularWeight: 300.15176

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)OC)N.[Br-]

Isomeric SMILES

C[N+]1=C(N(C2=CC=CC=C21)CC(=O)OC)N.[Br-]

InChI

InChI=1S/C11H13N3O2.BrH/c1-13-8-5-3-4-6-9(8)14(11(13)12)7-10(15)16-2;/h3-6,12H,7H2,1-2H3;1H