N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-[3-(p-tolyl)isoxazol-5-yl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[3-(4-methylphenyl)-5-isoxazolyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-[3-(4-methylphenyl)-1,2-oxazol-5-yl]-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-[3-(p-tolyl)isoxazol-5-yl]-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C20H22N3O2S+ MolecularWeight: 368.47258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NOC(=C2)NC(=O)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C20H21N3O2S/c1-14-6-8-15(9-7-14)16-12-20(25-22-16)21-19(24)13-23-10-2-4-17(23)18-5-3-11-26-18/h3,5-9,11-12,17H,2,4,10,13H2,1H3,(H,21,24)/p+1/t17-/m1/s1