N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[(2S)-2-phenyl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[(2S)-2-phenylpyrrolidin-1-ium-1-yl]acetamide Formula: C16H20N3O2+ MolecularWeight: 286.3489

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCCC2C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCC[C@H]2C3=CC=CC=C3

InChI

InChI=1S/C16H19N3O2/c1-12-10-15(18-21-12)17-16(20)11-19-9-5-8-14(19)13-6-3-2-4-7-13/h2-4,6-7,10,14H,5,8-9,11H2,1H3,(H,17,18,20)/p+1/t14-/m0/s1