ethyl 2-(2-azanyl-3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)ethanoate bromide

Systemtic Name: ethyl 2-(2-azanyl-3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)ethanoate bromide Openeye Name: ethyl 2-(2-amino-3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)acetate bromide CAS Name: 2-(2-amino-3-ethyl-5,6-dimethyl-1-benzimidazol-1-iumyl)acetic acid ethyl ester bromide IUPAC Name: ethyl 2-(2-amino-3-ethyl-5,6-dimethylbenzimidazol-1-ium-1-yl)acetate bromide Traditional Name: 2-(2-amino-3-ethyl-5,6-dimethyl-benzimidazol-1-ium-1-yl)acetic acid ethyl ester bromide Formula: C15H22BrN3O2 MolecularWeight: 356.25808

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2.BrH/c1-5-17-12-7-10(3)11(4)8-13(12)18(15(17)16)9-14(19)20-6-2;/h7-8,16H,5-6,9H2,1-4H3;1H