4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one

Systemtic Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]ethanoyl]-3,3-dimethyl-1H-quinoxalin-2-one Openeye Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one CAS Name: 4-[2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-1-oxoethyl]-3,3-dimethyl-1H-quinoxalin-2-one IUPAC Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Traditional Name: 4-[2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetyl]-3,3-dimethyl-1H-quinoxalin-2-one Formula: C22H26FN4O2+ MolecularWeight: 397.465843

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

Isomeric SMILES

CC1(C(=O)NC2=CC=CC=C2N1C(=O)C[NH+]3CCN(CC3)C4=CC=C(C=C4)F)C

InChI

InChI=1S/C22H25FN4O2/c1-22(2)21(29)24-18-5-3-4-6-19(18)27(22)20(28)15-25-11-13-26(14-12-25)17-9-7-16(23)8-10-17/h3-10H,11-15H2,1-2H3,(H,24,29)/p+1