phenyl 2-pyridin-1-ium-1-ylethanoate

Systemtic Name: phenyl 2-pyridin-1-ium-1-ylethanoate Openeye Name: phenyl 2-pyridin-1-ium-1-ylacetate CAS Name: 2-(1-pyridin-1-iumyl)acetic acid phenyl ester IUPAC Name: phenyl 2-pyridin-1-ium-1-ylacetate Traditional Name: 2-pyridin-1-ium-1-ylacetic acid phenyl ester Formula: C13H12NO2+ MolecularWeight: 214.23988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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