6-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one

Systemtic Name: 6-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one CAS Name: 6-(3,4-dimethoxyphenyl)-2-(4-methyl-1-piperazin-4-iumyl)-1H-pyrimidin-4-one IUPAC Name: 6-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-(3,4-dimethoxyphenyl)-2-(4-methylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C17H23N4O3+ MolecularWeight: 331.38952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3/c1-20-6-8-21(9-7-20)17-18-13(11-16(22)19-17)12-4-5-14(23-2)15(10-12)24-3/h4-5,10-11H,6-9H2,1-3H3,(H,18,19,22)/p+1