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

Systemtic Name: 3-[2-oxidanylidene-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]ethyl]-6-phenyl-pyrimidin-4-one Openeye Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxo-ethyl]-6-phenyl-pyrimidin-4-one CAS Name: 3-[2-oxo-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]ethyl]-6-phenyl-4-pyrimidinone IUPAC Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-oxoethyl]-6-phenylpyrimidin-4-one Traditional Name: 3-[2-(4-benzylpiperazin-4-ium-1-yl)-2-keto-ethyl]-6-phenyl-pyrimidin-4-one Formula: C23H25N4O2+ MolecularWeight: 389.4702

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C23H24N4O2/c28-22-15-21(20-9-5-2-6-10-20)24-18-27(22)17-23(29)26-13-11-25(12-14-26)16-19-7-3-1-4-8-19/h1-10,15,18H,11-14,16-17H2/p+1