1-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxalin-2-one

Systemtic Name: 1-[2-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxalin-2-one Openeye Name: 1-[2-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]quinoxalin-2-one CAS Name: 1-[2-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-quinoxalinone IUPAC Name: 1-[2-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinoxalin-2-one Traditional Name: 1-[2-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]quinoxalin-2-one Formula: C21H21ClFN4O2+ MolecularWeight: 415.868443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)CN3C4=CC=CC=C4N=CC3=O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C(=O)CN3C4=CC=CC=C4N=CC3=O

InChI

InChI=1S/C21H20ClFN4O2/c22-16-4-3-5-17(23)15(16)13-25-8-10-26(11-9-25)21(29)14-27-19-7-2-1-6-18(19)24-12-20(27)28/h1-7,12H,8-11,13-14H2/p+1