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

Systemtic Name: methyl 2-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: methyl 2-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)acetate CAS Name: 2-(3-ethyl-2-methyl-1-benzimidazol-1-iumyl)acetic acid methyl ester IUPAC Name: methyl 2-(3-ethyl-2-methylbenzimidazol-1-ium-1-yl)acetate Traditional Name: 2-(3-ethyl-2-methyl-benzimidazol-1-ium-1-yl)acetic acid methyl ester Formula: C13H17N2O2+ MolecularWeight: 233.28628

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=[N+](C2=CC=CC=C21)CC(=O)OC)C

Isomeric SMILES

CCN1C(=[N+](C2=CC=CC=C21)CC(=O)OC)C

InChI

InChI=1S/C13H17N2O2/c1-4-14-10(2)15(9-13(16)17-3)12-8-6-5-7-11(12)14/h5-8H,4,9H2,1-3H3/q+1