5-[(3-ethanoylphenoxy)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(3-ethanoylphenoxy)methyl]-N-[1-(phenylmethyl)piperidin-1-ium-4-yl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-1-ium-4-yl)isoxazole-3-carboxamide CAS Name: 5-[(3-acetylphenoxy)methyl]-N-[1-(phenylmethyl)-4-piperidin-1-iumyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-1-ium-4-yl)-1,2-oxazole-3-carboxamide Traditional Name: 5-[(3-acetylphenoxy)methyl]-N-(1-benzylpiperidin-1-ium-4-yl)isoxazole-3-carboxamide Formula: C25H28N3O4+ MolecularWeight: 434.50752

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)OCC2=CC(=NO2)C(=O)NC3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C25H27N3O4/c1-18(29)20-8-5-9-22(14-20)31-17-23-15-24(27-32-23)25(30)26-21-10-12-28(13-11-21)16-19-6-3-2-4-7-19/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,26,30)/p+1