ethyl 2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)ethanoate Openeye Name: ethyl 2-[2-(2-pyridyl)-3H-benzimidazol-1-ium-1-yl]acetate CAS Name: 2-[2-(2-pyridinyl)-3H-benzimidazol-1-ium-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-pyridin-2-yl-3H-benzimidazol-1-ium-1-yl)acetate Traditional Name: 2-[2-(2-pyridyl)-3H-benzimidazol-1-ium-1-yl]acetic acid ethyl ester Formula: C16H16N3O2+ MolecularWeight: 282.31714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(NC2=CC=CC=C21)C3=CC=CC=N3

Isomeric SMILES

CCOC(=O)C[N+]1=C(NC2=CC=CC=C21)C3=CC=CC=N3

InChI

InChI=1S/C16H15N3O2/c1-2-21-15(20)11-19-14-9-4-3-7-12(14)18-16(19)13-8-5-6-10-17-13/h3-10H,2,11H2,1H3/p+1