ethyl 3-[(4-chloranylpyridin-1-ium-1-yl)methyl]benzoate

Systemtic Name: ethyl 3-[(4-chloranylpyridin-1-ium-1-yl)methyl]benzoate Openeye Name: ethyl 3-[(4-chloropyridin-1-ium-1-yl)methyl]benzoate CAS Name: 3-[(4-chloro-1-pyridin-1-iumyl)methyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[(4-chloropyridin-1-ium-1-yl)methyl]benzoate Traditional Name: 3-[(4-chloropyridin-1-ium-1-yl)methyl]benzoic acid ethyl ester Formula: C15H15ClNO2+ MolecularWeight: 276.7381

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15ClNO2/c1-2-19-15(18)13-5-3-4-12(10-13)11-17-8-6-14(16)7-9-17/h3-10H,2,11H2,1H3/q+1