1-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxalin-2-one

Systemtic Name: 1-[2-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxidanylidene-ethyl]quinoxalin-2-one Openeye Name: 1-[2-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-oxo-ethyl]quinoxalin-2-one CAS Name: 1-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-oxoethyl]-2-quinoxalinone IUPAC Name: 1-[2-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-oxoethyl]quinoxalin-2-one Traditional Name: 1-[2-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-keto-ethyl]quinoxalin-2-one Formula: C22H24FN4O3+ MolecularWeight: 411.449363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=CC3=O)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)CN3C4=CC=CC=C4N=CC3=O)F

InChI

InChI=1S/C22H23FN4O3/c1-30-20-7-6-16(12-17(20)23)14-25-8-10-26(11-9-25)22(29)15-27-19-5-3-2-4-18(19)24-13-21(27)28/h2-7,12-13H,8-11,14-15H2,1H3/p+1