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

Systemtic Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-(4-ethyl-1-piperazin-4-iumyl)-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-ethylpiperazin-4-ium-1-yl)-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-4-one Formula: C19H27N4O+ MolecularWeight: 327.44388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H26N4O/c1-4-22-9-11-23(12-10-22)19-20-15(3)17(18(24)21-19)13-16-7-5-14(2)6-8-16/h5-8H,4,9-13H2,1-3H3,(H,20,21,24)/p+1