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

Systemtic Name: N-(3,5-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(3,5-dimethylphenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-(3,5-dimethylphenyl)-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3,5-dimethylphenyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(3,5-dimethylphenyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C18H23N2OS+ MolecularWeight: 315.45302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCCC2C3=CC=CS3)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3)C

InChI

InChI=1S/C18H22N2OS/c1-13-9-14(2)11-15(10-13)19-18(21)12-20-7-3-5-16(20)17-6-4-8-22-17/h4,6,8-11,16H,3,5,7,12H2,1-2H3,(H,19,21)/p+1/t16-/m1/s1