N-[(2-fluorophenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide

Systemtic Name: N-[(2-fluorophenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(2-fluorophenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(2-fluorophenyl)methyl]-5-(4-morpholin-4-iumylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(2-fluorophenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(2-fluorobenzyl)-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide Formula: C16H19FN3O3+ MolecularWeight: 320.338763

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CC2=CC(=NO2)C(=O)NCC3=CC=CC=C3F

Isomeric SMILES

C1COCC[NH+]1CC2=CC(=NO2)C(=O)NCC3=CC=CC=C3F

InChI

InChI=1S/C16H18FN3O3/c17-14-4-2-1-3-12(14)10-18-16(21)15-9-13(23-19-15)11-20-5-7-22-8-6-20/h1-4,9H,5-8,10-11H2,(H,18,21)/p+1