3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]isoxazole-4-carboxamide Formula: C21H22ClFN5O2+ MolecularWeight: 430.883083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC3=CN=C(C=C3)N4CC[NH+](CC4)C

InChI

InChI=1S/C21H21ClFN5O2/c1-13-18(20(26-30-13)19-15(22)4-3-5-16(19)23)21(29)25-14-6-7-17(24-12-14)28-10-8-27(2)9-11-28/h3-7,12H,8-11H2,1-2H3,(H,25,29)/p+1