[2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium

Systemtic Name: [2-(2,2-dimethyl-3-oxidanylidene-4H-quinoxalin-1-yl)-2-oxidanylidene-ethyl]-ethyl-[(3-fluoranyl-4-methoxy-phenyl)methyl]azanium Openeye Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxo-ethyl]-ethyl-[(3-fluoro-4-methoxy-phenyl)methyl]ammonium CAS Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]ammonium IUPAC Name: [2-(2,2-dimethyl-3-oxo-4H-quinoxalin-1-yl)-2-oxoethyl]-ethyl-[(3-fluoro-4-methoxyphenyl)methyl]azanium Traditional Name: ethyl-(3-fluoro-4-methoxy-benzyl)-[2-keto-2-(3-keto-2,2-dimethyl-4H-quinoxalin-1-yl)ethyl]ammonium Formula: C22H27FN3O3+ MolecularWeight: 400.466483

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

Isomeric SMILES

CC[NH+](CC1=CC(=C(C=C1)OC)F)CC(=O)N2C3=CC=CC=C3NC(=O)C2(C)C

InChI

InChI=1S/C22H26FN3O3/c1-5-25(13-15-10-11-19(29-4)16(23)12-15)14-20(27)26-18-9-7-6-8-17(18)24-21(28)22(26,2)3/h6-12H,5,13-14H2,1-4H3,(H,24,28)/p+1