4-(pyridin-1-ium-1-ylmethyl)benzoate

Systemtic Name: 4-(pyridin-1-ium-1-ylmethyl)benzoate Openeye Name: 4-(pyridin-1-ium-1-ylmethyl)benzoate CAS Name: 4-(1-pyridin-1-iumylmethyl)benzoate IUPAC Name: 4-(pyridin-1-ium-1-ylmethyl)benzoate Traditional Name: 4-(pyridin-1-ium-1-ylmethyl)benzoate Formula: C13H11NO2 MolecularWeight: 213.23194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CC=[N+](C=C1)CC2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H11NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h1-9H,10H2