6-(4-fluorophenyl)-3-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]pyrimidin-4-one

Systemtic Name: 6-(4-fluorophenyl)-3-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]pyrimidin-4-one Openeye Name: 6-(4-fluorophenyl)-3-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]pyrimidin-4-one CAS Name: 6-(4-fluorophenyl)-3-[2-oxo-2-(4-phenethyl-1-piperazin-4-iumyl)ethyl]-4-pyrimidinone IUPAC Name: 6-(4-fluorophenyl)-3-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]pyrimidin-4-one Traditional Name: 6-(4-fluorophenyl)-3-[2-keto-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]pyrimidin-4-one Formula: C24H26FN4O2+ MolecularWeight: 421.487243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H25FN4O2/c25-21-8-6-20(7-9-21)22-16-23(30)29(18-26-22)17-24(31)28-14-12-27(13-15-28)11-10-19-4-2-1-3-5-19/h1-9,16,18H,10-15,17H2/p+1