methyl 3-(3-chlorophenyl)-2-pyridin-1-ium-1-yl-propanoate

Systemtic Name: methyl 3-(3-chlorophenyl)-2-pyridin-1-ium-1-yl-propanoate Openeye Name: methyl 3-(3-chlorophenyl)-2-pyridin-1-ium-1-yl-propanoate CAS Name: 3-(3-chlorophenyl)-2-(1-pyridin-1-iumyl)propanoic acid methyl ester IUPAC Name: methyl 3-(3-chlorophenyl)-2-pyridin-1-ium-1-ylpropanoate Traditional Name: 3-(3-chlorophenyl)-2-pyridin-1-ium-1-yl-propionic acid methyl ester Formula: C15H15ClNO2+ MolecularWeight: 276.7381

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC(=CC=C1)Cl)[N+]2=CC=CC=C2

Isomeric SMILES

COC(=O)C(CC1=CC(=CC=C1)Cl)[N+]2=CC=CC=C2

InChI

InChI=1S/C15H15ClNO2/c1-19-15(18)14(17-8-3-2-4-9-17)11-12-6-5-7-13(16)10-12/h2-10,14H,11H2,1H3/q+1