N-(2-ethyl-6-methyl-phenyl)-2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(2-ethyl-6-methyl-phenyl)-2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(2-ethyl-6-methyl-phenyl)-2-[(2S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(2-ethyl-6-methylphenyl)-2-[(2S)-2-(3-methyl-5-isoxazolyl)-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(2-ethyl-6-methylphenyl)-2-[(2S)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(2-ethyl-6-methyl-phenyl)-2-[(2S)-2-(3-methylisoxazol-5-yl)pyrrolidin-1-ium-1-yl]acetamide Formula: C19H26N3O2+ MolecularWeight: 328.42864

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCCC2C3=CC(=NO3)C)C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)C[NH+]2CCC[C@H]2C3=CC(=NO3)C)C

InChI

InChI=1S/C19H25N3O2/c1-4-15-8-5-7-13(2)19(15)20-18(23)12-22-10-6-9-16(22)17-11-14(3)21-24-17/h5,7-8,11,16H,4,6,9-10,12H2,1-3H3,(H,20,23)/p+1/t16-/m0/s1