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

Systemtic Name: ethyl 2-(3-azanyl-2-methyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-(3-amino-2-methyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(3-amino-2-methyl-1-benzimidazol-1-iumyl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3-amino-2-methylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(3-amino-2-methyl-benzimidazol-1-ium-1-yl)acetic acid ethyl ester Formula: C12H16N3O2+ MolecularWeight: 234.27434

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)N)C

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(C2=CC=CC=C21)N)C

InChI

InChI=1S/C12H16N3O2/c1-3-17-12(16)8-14-9(2)15(13)11-7-5-4-6-10(11)14/h4-7H,3,8,13H2,1-2H3/q+1