(phenylmethyl) (E)-3-(1-methyl-3H-imidazo[4,5-b]pyridin-1-ium-6-yl)prop-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-(1-methyl-3H-imidazo[4,5-b]pyridin-1-ium-6-yl)prop-2-enoate Openeye Name: benzyl (E)-3-(1-methyl-3H-imidazo[4,5-b]pyridin-1-ium-6-yl)prop-2-enoate CAS Name: (E)-3-(1-methyl-3H-imidazo[4,5-b]pyridin-1-ium-6-yl)-2-propenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-(1-methyl-3H-imidazo[4,5-b]pyridin-1-ium-6-yl)prop-2-enoate Traditional Name: (E)-3-(1-methyl-3H-imidazo[4,5-b]pyridin-1-ium-6-yl)acrylic acid benzyl ester Formula: C17H16N3O2+ MolecularWeight: 294.32784

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CNC2=C1C=C(C=N2)C=CC(=O)OCC3=CC=CC=C3

Isomeric SMILES

C[N+]1=CNC2=C1C=C(C=N2)/C=C/C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2/c1-20-12-19-17-15(20)9-14(10-18-17)7-8-16(21)22-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3/p+1/b8-7+