N-(cyclohexylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(cyclohexylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[(cyclohexylamino)-oxomethyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(cyclohexylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(cyclohexylcarbamoyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C17H26N3O2S+ MolecularWeight: 336.47224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCCC2C3=CC=CS3

Isomeric SMILES

C1CCC(CC1)NC(=O)NC(=O)C[NH+]2CCC[C@@H]2C3=CC=CS3

InChI

InChI=1S/C17H25N3O2S/c21-16(19-17(22)18-13-6-2-1-3-7-13)12-20-10-4-8-14(20)15-9-5-11-23-15/h5,9,11,13-14H,1-4,6-8,10,12H2,(H2,18,19,21,22)/p+1/t14-/m1/s1