2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide

Systemtic Name: 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-yl-ethyl]ethanamide Openeye Name: 2-[2-(2-chlorophenyl)thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide CAS Name: 2-[2-(2-chlorophenyl)-4-thiazolyl]-N-[(2S)-2-(1-pyrrolidin-1-iumyl)-2-thiophen-2-ylethyl]acetamide IUPAC Name: 2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-thiophen-2-ylethyl]acetamide Traditional Name: 2-[2-(2-chlorophenyl)thiazol-4-yl]-N-[(2S)-2-pyrrolidin-1-ium-1-yl-2-(2-thienyl)ethyl]acetamide Formula: C21H23ClN3OS2+ MolecularWeight: 433.00982

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(CNC(=O)CC2=CSC(=N2)C3=CC=CC=C3Cl)C4=CC=CS4

Isomeric SMILES

C1CC[NH+](C1)[C@@H](CNC(=O)CC2=CSC(=N2)C3=CC=CC=C3Cl)C4=CC=CS4

InChI

InChI=1S/C21H22ClN3OS2/c22-17-7-2-1-6-16(17)21-24-15(14-28-21)12-20(26)23-13-18(19-8-5-11-27-19)25-9-3-4-10-25/h1-2,5-8,11,14,18H,3-4,9-10,12-13H2,(H,23,26)/p+1/t18-/m0/s1