2-[4-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: 2-[4-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]acetate CAS Name: 2-[4-(1H-benzimidazol-2-yl)-1-pyridin-1-iumyl]acetate IUPAC Name: 2-[4-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-[4-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]acetate Formula: C14H11N3O2 MolecularWeight: 253.25604

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)C3=CC=[N+](C=C3)CC(=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)C3=CC=[N+](C=C3)CC(=O)[O-]

InChI

InChI=1S/C14H11N3O2/c18-13(19)9-17-7-5-10(6-8-17)14-15-11-3-1-2-4-12(11)16-14/h1-8H,9H2,(H,18,19)