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

Systemtic Name: N-[(3-fluoranyl-4-methyl-phenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Openeye Name: N-[(3-fluoro-4-methyl-phenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide CAS Name: N-[(3-fluoro-4-methylphenyl)methyl]-5-(4-morpholin-4-iumylmethyl)-3-isoxazolecarboxamide IUPAC Name: N-[(3-fluoro-4-methylphenyl)methyl]-5-(morpholin-4-ium-4-ylmethyl)-1,2-oxazole-3-carboxamide Traditional Name: N-(3-fluoro-4-methyl-benzyl)-5-(morpholin-4-ium-4-ylmethyl)isoxazole-3-carboxamide Formula: C17H21FN3O3+ MolecularWeight: 334.365343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)CNC(=O)C2=NOC(=C2)C[NH+]3CCOCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)CNC(=O)C2=NOC(=C2)C[NH+]3CCOCC3)F

InChI

InChI=1S/C17H20FN3O3/c1-12-2-3-13(8-15(12)18)10-19-17(22)16-9-14(24-20-16)11-21-4-6-23-7-5-21/h2-3,8-9H,4-7,10-11H2,1H3,(H,19,22)/p+1