phenyl 2-(3-chloranylpyridin-1-ium-1-yl)ethanoate

Systemtic Name: phenyl 2-(3-chloranylpyridin-1-ium-1-yl)ethanoate Openeye Name: phenyl 2-(3-chloropyridin-1-ium-1-yl)acetate CAS Name: 2-(3-chloro-1-pyridin-1-iumyl)acetic acid phenyl ester IUPAC Name: phenyl 2-(3-chloropyridin-1-ium-1-yl)acetate Traditional Name: 2-(3-chloropyridin-1-ium-1-yl)acetic acid phenyl ester Formula: C13H11ClNO2+ MolecularWeight: 248.68494

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H11ClNO2/c14-11-5-4-8-15(9-11)10-13(16)17-12-6-2-1-3-7-12/h1-9H,10H2/q+1