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

Systemtic Name: 6-(4-methoxyphenyl)-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-methoxyphenyl)pyrimidin-4-one CAS Name: 6-(4-methoxyphenyl)-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-methoxyphenyl)pyrimidin-4-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-(4-methoxyphenyl)pyrimidin-4-one Formula: C24H27N4O3+ MolecularWeight: 419.49618

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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)CC4=CC=CC=C4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=O)N(C=N2)CC(=O)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C24H26N4O3/c1-31-21-9-7-20(8-10-21)22-15-23(29)28(18-25-22)17-24(30)27-13-11-26(12-14-27)16-19-5-3-2-4-6-19/h2-10,15,18H,11-14,16-17H2,1H3/p+1