5-[(4-ethanoylphenoxy)methyl]-N-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(4-ethanoylphenoxy)methyl]-N-[2-[(3S)-3-oxidanylpiperidin-1-ium-1-yl]ethyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(4-acetylphenoxy)methyl]-N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]isoxazole-3-carboxamide CAS Name: 5-[(4-acetylphenoxy)methyl]-N-[2-[(3S)-3-hydroxy-1-piperidin-1-iumyl]ethyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(4-acetylphenoxy)methyl]-N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(4-acetylphenoxy)methyl]-N-[2-[(3S)-3-hydroxypiperidin-1-ium-1-yl]ethyl]isoxazole-3-carboxamide Formula: C20H26N3O5+ MolecularWeight: 388.43754

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCC2=CC(=NO2)C(=O)NCC[NH+]3CCCC(C3)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCC2=CC(=NO2)C(=O)NCC[NH+]3CCC[C@@H](C3)O

InChI

InChI=1S/C20H25N3O5/c1-14(24)15-4-6-17(7-5-15)27-13-18-11-19(22-28-18)20(26)21-8-10-23-9-2-3-16(25)12-23/h4-7,11,16,25H,2-3,8-10,12-13H2,1H3,(H,21,26)/p+1/t16-/m0/s1