(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-azanylpyridin-1-ium-3-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-azanylpyridin-1-ium-3-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-aminopyridin-1-ium-3-carboxylate CAS Name: 2-amino-3-pyridin-1-iumcarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 2-aminopyridin-1-ium-3-carboxylate Traditional Name: 2-aminopyridin-1-ium-3-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C15H13N4O3+ MolecularWeight: 297.28872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=C([NH+]=CC=C3)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NN=C(O2)COC(=O)C3=C([NH+]=CC=C3)N

InChI

InChI=1S/C15H12N4O3/c16-13-11(7-4-8-17-13)15(20)21-9-12-18-19-14(22-12)10-5-2-1-3-6-10/h1-8H,9H2,(H2,16,17)/p+1