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

Systemtic Name: 3-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-6-phenyl-pyrimidin-4-one Openeye Name: 3-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-oxo-2-(4-phenethyl-1-piperazin-4-iumyl)ethyl]-6-phenyl-4-pyrimidinone IUPAC Name: 3-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-6-phenylpyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-6-phenyl-pyrimidin-4-one Formula: C24H27N4O2+ MolecularWeight: 403.49678

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H26N4O2/c29-23-17-22(21-9-5-2-6-10-21)25-19-28(23)18-24(30)27-15-13-26(14-16-27)12-11-20-7-3-1-4-8-20/h1-10,17,19H,11-16,18H2/p+1