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

Systemtic Name: 4-[(2S)-2-(4-oxidanylpiperidin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one CAS Name: 4-[(2S)-2-(4-hydroxy-1-piperidin-1-iumyl)-1-oxopropyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[(2S)-2-(4-hydroxypiperidin-1-ium-1-yl)propanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Formula: C17H21F3N3O3+ MolecularWeight: 372.36215

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20F3N3O3/c1-10(22-6-4-12(24)5-7-22)16(26)23-9-15(25)21-13-8-11(17(18,19)20)2-3-14(13)23/h2-3,8,10,12,24H,4-7,9H2,1H3,(H,21,25)/p+1/t10-/m0/s1