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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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