4-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonyl-1,3-dihydroquinoxalin-2-one

Systemtic Name: 4-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperidin-1-ium-4-yl]carbonyl-1,3-dihydroquinoxalin-2-one Openeye Name: 4-[1-[(2-chloro-6-fluoro-phenyl)methyl]piperidin-1-ium-4-carbonyl]-1,3-dihydroquinoxalin-2-one CAS Name: 4-[[1-[(2-chloro-6-fluorophenyl)methyl]-4-piperidin-1-iumyl]-oxomethyl]-1,3-dihydroquinoxalin-2-one IUPAC Name: 4-[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-1-ium-4-carbonyl]-1,3-dihydroquinoxalin-2-one Traditional Name: 4-[1-(2-chloro-6-fluoro-benzyl)piperidin-1-ium-4-carbonyl]-1,3-dihydroquinoxalin-2-one Formula: C21H22ClFN3O2+ MolecularWeight: 402.869683

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)N2CC(=O)NC3=CC=CC=C32)CC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1C[NH+](CCC1C(=O)N2CC(=O)NC3=CC=CC=C32)CC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C21H21ClFN3O2/c22-16-4-3-5-17(23)15(16)12-25-10-8-14(9-11-25)21(28)26-13-20(27)24-18-6-1-2-7-19(18)26/h1-7,14H,8-13H2,(H,24,27)/p+1