2-[4-[2-(2-oxidanylidenequinoxalin-1-yl)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(2-oxidanylidenequinoxalin-1-yl)ethanoylamino]piperidin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[[1-oxo-2-(2-oxo-1-quinoxalinyl)ethyl]amino]-1-piperidin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[[2-(2-oxoquinoxalin-1-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[[2-(2-ketoquinoxalin-1-yl)acetyl]amino]piperidin-1-ium-1-yl]-N-phenyl-acetamide Formula: C23H26N5O3+ MolecularWeight: 420.48424

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1NC(=O)CN2C3=CC=CC=C3N=CC2=O)CC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1C[NH+](CCC1NC(=O)CN2C3=CC=CC=C3N=CC2=O)CC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C23H25N5O3/c29-21(25-17-6-2-1-3-7-17)15-27-12-10-18(11-13-27)26-22(30)16-28-20-9-5-4-8-19(20)24-14-23(28)31/h1-9,14,18H,10-13,15-16H2,(H,25,29)(H,26,30)/p+1