2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 2-chloranyl-6-fluoranyl-benzoate

Systemtic Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 2-chloranyl-6-fluoranyl-benzoate Openeye Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl 2-chloro-6-fluoro-benzoate CAS Name: 2-chloro-6-fluorobenzoic acid 2-[(5-cyano-2-pyridin-1-iumyl)-methylamino]ethyl ester IUPAC Name: 2-[(5-cyanopyridin-1-ium-2-yl)-methylamino]ethyl 2-chloro-6-fluorobenzoate Traditional Name: 2-chloro-6-fluoro-benzoic acid 2-[(5-cyanopyridin-1-ium-2-yl)-methyl-amino]ethyl ester Formula: C16H14ClFN3O2+ MolecularWeight: 334.752663

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCOC(=O)C1=C(C=CC=C1Cl)F)C2=[NH+]C=C(C=C2)C#N

Isomeric SMILES

CN(CCOC(=O)C1=C(C=CC=C1Cl)F)C2=[NH+]C=C(C=C2)C#N

InChI

InChI=1S/C16H13ClFN3O2/c1-21(14-6-5-11(9-19)10-20-14)7-8-23-16(22)15-12(17)3-2-4-13(15)18/h2-6,10H,7-8H2,1H3/p+1