[3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone

Systemtic Name: [3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Openeye Name: [3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone CAS Name: [3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolyl]-[4-(4-pyridin-1-iumyl)-1-piperazinyl]methanone IUPAC Name: [3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazin-1-yl)methanone Traditional Name: [3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazol-4-yl]-(4-pyridin-1-ium-4-ylpiperazino)methanone Formula: C20H19ClFN4O2+ MolecularWeight: 401.841863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)N3CCN(CC3)C4=CC=[NH+]C=C4

InChI

InChI=1S/C20H18ClFN4O2/c1-13-17(19(24-28-13)18-15(21)3-2-4-16(18)22)20(27)26-11-9-25(10-12-26)14-5-7-23-8-6-14/h2-8H,9-12H2,1H3/p+1