N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide

Systemtic Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-thiophen-2-ylquinolin-4-yl)carbonylpiperazin-1-ium-1-yl]ethanamide Openeye Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide CAS Name: N-(5-methyl-3-isoxazolyl)-2-[4-[oxo-(2-thiophen-2-yl-4-quinolinyl)methyl]-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(5-methyl-1,2-oxazol-3-yl)-2-[4-(2-thiophen-2-ylquinoline-4-carbonyl)piperazin-1-ium-1-yl]acetamide Traditional Name: N-(5-methylisoxazol-3-yl)-2-[4-[2-(2-thienyl)quinoline-4-carbonyl]piperazin-1-ium-1-yl]acetamide Formula: C24H24N5O3S+ MolecularWeight: 462.54406

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CC1=CC(=NO1)NC(=O)C[NH+]2CCN(CC2)C(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CS5

InChI

InChI=1S/C24H23N5O3S/c1-16-13-22(27-32-16)26-23(30)15-28-8-10-29(11-9-28)24(31)18-14-20(21-7-4-12-33-21)25-19-6-3-2-5-17(18)19/h2-7,12-14H,8-11,15H2,1H3,(H,26,27,30)/p+1