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

Systemtic Name: 6-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Openeye Name: 6-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one CAS Name: 6-(4-chlorophenyl)-2-(4-ethyl-1-piperazin-4-iumyl)-1H-pyrimidin-4-one IUPAC Name: 6-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Traditional Name: 6-(4-chlorophenyl)-2-(4-ethylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C16H20ClN4O+ MolecularWeight: 319.8092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19ClN4O/c1-2-20-7-9-21(10-8-20)16-18-14(11-15(22)19-16)12-3-5-13(17)6-4-12/h3-6,11H,2,7-10H2,1H3,(H,18,19,22)/p+1