N-tert-butyl-2-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-tert-butyl-2-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-tert-butyl-2-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-tert-butyl-2-[4-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-tert-butyl-2-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-tert-butyl-2-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C24H29N4O2S+ MolecularWeight: 437.57766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

Isomeric SMILES

CC(C)(C)NC(=O)C[NH+]1CCN(CC1)C(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4

InChI

InChI=1S/C24H28N4O2S/c1-24(2,3)26-22(29)16-27-10-12-28(13-11-27)23(30)18-15-20(21-9-6-14-31-21)25-19-8-5-4-7-17(18)19/h4-9,14-15H,10-13,16H2,1-3H3,(H,26,29)/p+1