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

Systemtic Name: 6-(4-methoxyphenyl)-3-[2-oxidanylidene-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]pyrimidin-4-one Openeye Name: 6-(4-methoxyphenyl)-3-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]pyrimidin-4-one CAS Name: 6-(4-methoxyphenyl)-3-[2-oxo-2-(4-phenethyl-1-piperazin-4-iumyl)ethyl]-4-pyrimidinone IUPAC Name: 6-(4-methoxyphenyl)-3-[2-oxo-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]pyrimidin-4-one Traditional Name: 3-[2-keto-2-(4-phenethylpiperazin-4-ium-1-yl)ethyl]-6-(4-methoxyphenyl)pyrimidin-4-one Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C25H28N4O3/c1-32-22-9-7-21(8-10-22)23-17-24(30)29(19-26-23)18-25(31)28-15-13-27(14-16-28)12-11-20-5-3-2-4-6-20/h2-10,17,19H,11-16,18H2,1H3/p+1