N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamide

Systemtic Name: N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-pyrrolidin-1-ium-1-yl-ethanamide Openeye Name: N-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]-2-pyrrolidin-1-ium-1-yl-acetamide CAS Name: N-[[3-(4-methoxyphenyl)-5-isoxazolyl]methyl]-2-(1-pyrrolidin-1-iumyl)acetamide IUPAC Name: N-[[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-pyrrolidin-1-ium-1-ylacetamide Traditional Name: N-[[3-(4-methoxyphenyl)isoxazol-5-yl]methyl]-2-pyrrolidin-1-ium-1-yl-acetamide Formula: C17H22N3O3+ MolecularWeight: 316.37488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=C2)CNC(=O)C[NH+]3CCCC3

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=C2)CNC(=O)C[NH+]3CCCC3

InChI

InChI=1S/C17H21N3O3/c1-22-14-6-4-13(5-7-14)16-10-15(23-19-16)11-18-17(21)12-20-8-2-3-9-20/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,18,21)/p+1