5-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 5-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one Openeye Name: 5-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one CAS Name: 5-[(3-chlorophenyl)methyl]-2-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-1H-pyrimidin-4-one IUPAC Name: 5-[(3-chlorophenyl)methyl]-2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(3-chlorobenzyl)-2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-1H-pyrimidin-4-one Formula: C18H24ClN4O+ MolecularWeight: 347.86236

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC(=O)C(=C(N2)C)CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC(=O)C(=C(N2)C)CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H23ClN4O/c1-3-22-7-9-23(10-8-22)18-20-13(2)16(17(24)21-18)12-14-5-4-6-15(19)11-14/h4-6,11H,3,7-10,12H2,1-2H3,(H,20,21,24)/p+1