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pyridin-1-ium-1-ylmethyl benzoate

pyridin-1-ium-1-ylmethyl benzoate

Systemtic Name:pyridin-1-ium-1-ylmethyl benzoate
Openeye Name:pyridin-1-ium-1-ylmethyl benzoate
CAS Name:benzoic acid 1-pyridin-1-iumylmethyl ester
IUPAC Name:pyridin-1-ium-1-ylmethyl benzoate
Traditional Name:benzoic acid pyridin-1-ium-1-ylmethyl ester
Formula: C13H12NO2+
MolecularWeight: 214.23988
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)OC[N+]2=CC=CC=C2


Isomeric SMILES

C1=CC=C(C=C1)C(=O)OC[N+]2=CC=CC=C2


InChI

InChI=1S/C13H12NO2/c15-13(12-7-3-1-4-8-12)16-11-14-9-5-2-6-10-14/h1-10H,11H2/q+1


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