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

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2R)-4-methyl-2-(4-morpholin-4-iumyl)pentyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2R)-4-methyl-2-morpholin-4-ium-4-ylpentyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[(2R)-4-methyl-2-morpholin-4-ium-4-yl-pentyl]isoxazole-4-carboxamide Formula: C21H28ClFN3O3+ MolecularWeight: 424.916723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC(CC(C)C)[NH+]3CCOCC3

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC[C@@H](CC(C)C)[NH+]3CCOCC3

InChI

InChI=1S/C21H27ClFN3O3/c1-13(2)11-15(26-7-9-28-10-8-26)12-24-21(27)18-14(3)29-25-20(18)19-16(22)5-4-6-17(19)23/h4-6,13,15H,7-12H2,1-3H3,(H,24,27)/p+1/t15-/m1/s1