N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide

Systemtic Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-thiophen-2-yl-quinoline-4-carboxamide Openeye Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]-2-(2-thienyl)quinoline-4-carboxamide CAS Name: N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]-2-thiophen-2-yl-4-quinolinecarboxamide IUPAC Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]-2-thiophen-2-ylquinoline-4-carboxamide Traditional Name: N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]-2-(2-thienyl)cinchoninamide Formula: C22H21N4OS2+ MolecularWeight: 421.55834

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C22H20N4OS2/c27-21(25-22-23-15(14-29-22)13-26-9-3-4-10-26)17-12-19(20-8-5-11-28-20)24-18-7-2-1-6-16(17)18/h1-2,5-8,11-12,14H,3-4,9-10,13H2,(H,23,25,27)/p+1