N-(3-methylbutylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(3-methylbutylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]ethanamide Openeye Name: N-(isopentylcarbamoyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide CAS Name: N-[(3-methylbutylamino)-oxomethyl]-2-[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]acetamide IUPAC Name: N-(3-methylbutylcarbamoyl)-2-[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]acetamide Traditional Name: N-(isoamylcarbamoyl)-2-[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]acetamide Formula: C16H26N3O2S+ MolecularWeight: 324.46154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)NC(=O)C[NH+]1CCCC1C2=CC=CS2

Isomeric SMILES

CC(C)CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1C2=CC=CS2

InChI

InChI=1S/C16H25N3O2S/c1-12(2)7-8-17-16(21)18-15(20)11-19-9-3-5-13(19)14-6-4-10-22-14/h4,6,10,12-13H,3,5,7-9,11H2,1-2H3,(H2,17,18,20,21)/p+1/t13-/m1/s1