5-[(3,4-dimethylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2-oxazole-3-carboxamide

Systemtic Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2-oxazole-3-carboxamide Openeye Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]isoxazole-3-carboxamide CAS Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[[(2S)-1-ethyl-2-pyrrolidin-1-iumyl]methyl]-3-isoxazolecarboxamide IUPAC Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]-1,2-oxazole-3-carboxamide Traditional Name: 5-[(3,4-dimethylphenoxy)methyl]-N-[[(2S)-1-ethylpyrrolidin-1-ium-2-yl]methyl]isoxazole-3-carboxamide Formula: C20H28N3O3+ MolecularWeight: 358.45462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27N3O3/c1-4-23-9-5-6-16(23)12-21-20(24)19-11-18(26-22-19)13-25-17-8-7-14(2)15(3)10-17/h7-8,10-11,16H,4-6,9,12-13H2,1-3H3,(H,21,24)/p+1/t16-/m0/s1