7-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-ethyl-1H-quinoxaline-2,3-dione

Systemtic Name: 7-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]carbonyl-4-ethyl-1H-quinoxaline-2,3-dione Openeye Name: 7-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione CAS Name: 7-[[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-oxomethyl]-4-ethyl-1H-quinoxaline-2,3-dione IUPAC Name: 7-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-dione Traditional Name: 7-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-carbonyl]-4-ethyl-1H-quinoxaline-2,3-quinone Formula: C22H23ClFN4O3+ MolecularWeight: 445.894423

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F)NC(=O)C1=O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)C(=O)N3CC[NH+](CC3)CC4=C(C=CC=C4Cl)F)NC(=O)C1=O

InChI

InChI=1S/C22H22ClFN4O3/c1-2-28-19-7-6-14(12-18(19)25-20(29)22(28)31)21(30)27-10-8-26(9-11-27)13-15-16(23)4-3-5-17(15)24/h3-7,12H,2,8-11,13H2,1H3,(H,25,29)/p+1