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

Systemtic Name: 5-[(3-ethanoylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(3-acetylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]isoxazole-3-carboxamide CAS Name: 5-[(3-acetylphenoxy)methyl]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(3-acetylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(3-acetylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]isoxazole-3-carboxamide Formula: C20H26N3O4+ MolecularWeight: 372.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC1CNC(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(=O)C

Isomeric SMILES

CC[NH+]1CCC[C@H]1CNC(=O)C2=NOC(=C2)COC3=CC=CC(=C3)C(=O)C

InChI

InChI=1S/C20H25N3O4/c1-3-23-9-5-7-16(23)12-21-20(25)19-11-18(27-22-19)13-26-17-8-4-6-15(10-17)14(2)24/h4,6,8,10-11,16H,3,5,7,9,12-13H2,1-2H3,(H,21,25)/p+1/t16-/m0/s1