3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(2-pyridin-1-iumylmethyl)-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-(pyridin-1-ium-2-ylmethyl)isoxazole-4-carboxamide Formula: C17H14ClFN3O2+ MolecularWeight: 346.763363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=CC=[NH+]3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC3=CC=CC=[NH+]3

InChI

InChI=1S/C17H13ClFN3O2/c1-10-14(17(23)21-9-11-5-2-3-8-20-11)16(22-24-10)15-12(18)6-4-7-13(15)19/h2-8H,9H2,1H3,(H,21,23)/p+1