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

Systemtic Name: 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-yl-ethyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]isoxazole-4-carboxamide CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2S)-2-(4-morpholin-4-iumyl)-2-thiophen-2-ylethyl]-4-isoxazolecarboxamide IUPAC Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-thiophen-2-ylethyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-N-[(2S)-2-morpholin-4-ium-4-yl-2-(2-thienyl)ethyl]isoxazole-4-carboxamide Formula: C21H22ClFN3O3S+ MolecularWeight: 450.934083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NCC(C3=CC=CS3)[NH+]4CCOCC4

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)NC[C@@H](C3=CC=CS3)[NH+]4CCOCC4

InChI

InChI=1S/C21H21ClFN3O3S/c1-13-18(20(25-29-13)19-14(22)4-2-5-15(19)23)21(27)24-12-16(17-6-3-11-30-17)26-7-9-28-10-8-26/h2-6,11,16H,7-10,12H2,1H3,(H,24,27)/p+1/t16-/m0/s1