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

Systemtic Name: N-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2-chloro-6-fluoro-phenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(2-chloro-6-fluorophenyl)methyl]-5-(4-morpholin-4-iumylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2-chloro-6-fluorophenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(2-chloro-6-fluoro-benzyl)-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide Formula: C16H18ClFN3O3+ MolecularWeight: 354.783823

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC(=NO2)C(=O)NCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1COCC[NH+]1CC2=CC(=NO2)C(=O)NCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C16H17ClFN3O3/c17-13-2-1-3-14(18)12(13)9-19-16(22)15-8-11(24-20-15)10-21-4-6-23-7-5-21/h1-3,8H,4-7,9-10H2,(H,19,22)/p+1