4-[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[(2S)-2-(4-ethanoylpiperazin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-(4-acetyl-1-piperazin-1-iumyl)-1-oxopropyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-(4-acetylpiperazin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Formula: C18H22F3N4O3+ MolecularWeight: 399.38749

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)[NH+]3CCN(CC3)C(=O)C

Isomeric SMILES

C[C@@H](C(=O)N1CC(=O)NC2=C1C=CC(=C2)C(F)(F)F)[NH+]3CCN(CC3)C(=O)C

InChI

InChI=1S/C18H21F3N4O3/c1-11(23-5-7-24(8-6-23)12(2)26)17(28)25-10-16(27)22-14-9-13(18(19,20)21)3-4-15(14)25/h3-4,9,11H,5-8,10H2,1-2H3,(H,22,27)/p+1/t11-/m0/s1