4-[2-(azepan-1-ium-1-yl)ethanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[2-(azepan-1-ium-1-yl)ethanoyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[2-(azepan-1-ium-1-yl)acetyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one CAS Name: 4-[2-(1-azepan-1-iumyl)-1-oxoethyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[2-(azepan-1-ium-1-yl)acetyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[2-(azepan-1-ium-1-yl)acetyl]-7-(trifluoromethyl)-1,3-dihydroquinoxalin-2-one Formula: C17H21F3N3O2+ MolecularWeight: 356.36275

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CC(=O)NC3=C2C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CC(=O)NC3=C2C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C17H20F3N3O2/c18-17(19,20)12-5-6-14-13(9-12)21-15(24)10-23(14)16(25)11-22-7-3-1-2-4-8-22/h5-6,9H,1-4,7-8,10-11H2,(H,21,24)/p+1