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

Systemtic Name: 6-(4-fluorophenyl)-3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]pyrimidin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one CAS Name: 6-(4-fluorophenyl)-3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-4-pyrimidinone IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-(4-fluorophenyl)pyrimidin-4-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-(4-fluorophenyl)pyrimidin-4-one Formula: C23H24FN4O2+ MolecularWeight: 407.460663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CN3C=NC(=CC3=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H23FN4O2/c24-20-8-6-19(7-9-20)21-14-22(29)28(17-25-21)16-23(30)27-12-10-26(11-13-27)15-18-4-2-1-3-5-18/h1-9,14,17H,10-13,15-16H2/p+1