(2-cyanophenyl)methyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: (2-cyanophenyl)methyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: (2-cyanophenyl)methyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid (2-cyanophenyl)methyl ester IUPAC Name: (2-cyanophenyl)methyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid (2-cyanobenzyl) ester Formula: C14H12N3O2+ MolecularWeight: 254.26398

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC(=O)C2=C([NH+]=CC=C2)N)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC(=O)C2=C([NH+]=CC=C2)N)C#N

InChI

InChI=1S/C14H11N3O2/c15-8-10-4-1-2-5-11(10)9-19-14(18)12-6-3-7-17-13(12)16/h1-7H,9H2,(H2,16,17)/p+1