2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-methylphenyl)-1H-pyrimidin-4-one

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-methylphenyl)-1H-pyrimidin-4-one Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(o-tolyl)-1H-pyrimidin-4-one CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-(2-methylphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(2-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-(o-tolyl)-1H-pyrimidin-4-one Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)C3=CC=CC=C3C

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)C=C(N2)C3=CC=CC=C3C

InChI

InChI=1S/C17H22N4O/c1-3-20-8-10-21(11-9-20)17-18-15(12-16(22)19-17)14-7-5-4-6-13(14)2/h4-7,12H,3,8-11H2,1-2H3,(H,18,19,22)/p+1