6-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one

Systemtic Name: 6-(4-methylphenyl)-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(p-tolyl)-1H-pyrimidin-4-one CAS Name: 6-(4-methylphenyl)-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(4-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-(p-tolyl)-1H-pyrimidin-4-one Formula: C22H25N4O+ MolecularWeight: 361.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC=CC=C4

InChI

InChI=1S/C22H24N4O/c1-17-7-9-19(10-8-17)20-15-21(27)24-22(23-20)26-13-11-25(12-14-26)16-18-5-3-2-4-6-18/h2-10,15H,11-14,16H2,1H3,(H,23,24,27)/p+1