methyl 2-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]ethanoate

Systemtic Name: methyl 2-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]ethanoate Openeye Name: methyl 2-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]acetate CAS Name: 2-[3-(1H-benzimidazol-2-yl)-1-pyridin-1-iumyl]acetic acid methyl ester IUPAC Name: methyl 2-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]acetate Traditional Name: 2-[3-(1H-benzimidazol-2-yl)pyridin-1-ium-1-yl]acetic acid methyl ester Formula: C15H14N3O2+ MolecularWeight: 268.29056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C[N+]1=CC=CC(=C1)C2=NC3=CC=CC=C3N2

Isomeric SMILES

COC(=O)C[N+]1=CC=CC(=C1)C2=NC3=CC=CC=C3N2

InChI

InChI=1S/C15H14N3O2/c1-20-14(19)10-18-8-4-5-11(9-18)15-16-12-6-2-3-7-13(12)17-15/h2-9H,10H2,1H3,(H,16,17)/q+1