(1-methylpyridin-1-ium-4-yl) 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate

Systemtic Name: (1-methylpyridin-1-ium-4-yl) 4-(2H-1,2,3,4-tetrazol-5-yl)benzoate Openeye Name: (1-methylpyridin-1-ium-4-yl) 4-(2H-tetrazol-5-yl)benzoate CAS Name: 4-(2H-tetrazol-5-yl)benzoic acid (1-methyl-4-pyridin-1-iumyl) ester IUPAC Name: (1-methylpyridin-1-ium-4-yl) 4-(2H-tetrazol-5-yl)benzoate Traditional Name: 4-(2H-tetrazol-5-yl)benzoic acid (1-methylpyridin-1-ium-4-yl) ester Formula: C14H12N5O2+ MolecularWeight: 282.27738

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NNN=N3

Isomeric SMILES

C[N+]1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)C3=NNN=N3

InChI

InChI=1S/C14H11N5O2/c1-19-8-6-12(7-9-19)21-14(20)11-4-2-10(3-5-11)13-15-17-18-16-13/h2-9H,1H3/p+1