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

Systemtic Name: ethyl 2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)ethanoate bromide Openeye Name: ethyl 2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)acetate bromide CAS Name: 2-(2-amino-3-ethyl-1-benzimidazol-1-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)acetate bromide Traditional Name: 2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)acetic acid ethyl ester bromide Formula: C13H18BrN3O2 MolecularWeight: 328.20492

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OCC.[Br-]

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)OCC.[Br-]

InChI

InChI=1S/C13H17N3O2.BrH/c1-3-15-10-7-5-6-8-11(10)16(13(15)14)9-12(17)18-4-2;/h5-8,14H,3-4,9H2,1-2H3;1H