(2S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide

Systemtic Name: (2S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-yl-ethyl]-1-thiophen-2-ylcarbonyl-pyrrolidine-2-carboxamide Openeye Name: (2S)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-N-[(2S)-2-(2-furanyl)-2-(1-piperidin-1-iumyl)ethyl]-1-[oxo(thiophen-2-yl)methyl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ium-1-ylethyl]-1-(thiophene-2-carbonyl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[(2S)-2-(2-furyl)-2-piperidin-1-ium-1-yl-ethyl]-1-(2-thenoyl)pyrrolidine-2-carboxamide Formula: C21H28N3O3S+ MolecularWeight: 402.53032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(CNC(=O)C2CCCN2C(=O)C3=CC=CS3)C4=CC=CO4

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](CNC(=O)[C@@H]2CCCN2C(=O)C3=CC=CS3)C4=CC=CO4

InChI

InChI=1S/C21H27N3O3S/c25-20(16-7-4-12-24(16)21(26)19-9-6-14-28-19)22-15-17(18-8-5-13-27-18)23-10-2-1-3-11-23/h5-6,8-9,13-14,16-17H,1-4,7,10-12,15H2,(H,22,25)/p+1/t16-,17-/m0/s1