3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methoxy]-1,2-oxazole

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methoxy]-1,2-oxazole Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methoxy]isoxazole CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methoxy]isoxazole IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methoxy]-1,2-oxazole Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-4-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methoxy]isoxazole Formula: C19H20ClFN5O2+ MolecularWeight: 404.845803

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)OC[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)OC[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C19H19ClFN5O2/c1-13-18(17(24-28-13)16-14(20)4-2-5-15(16)21)27-12-25-8-10-26(11-9-25)19-22-6-3-7-23-19/h2-7H,8-12H2,1H3/p+1