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

Systemtic Name: 6-methyl-5-[(4-methylphenyl)methyl]-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Openeye Name: 6-methyl-2-piperazin-4-ium-1-yl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(4-methylphenyl)methyl]-2-(1-piperazin-4-iumyl)-1H-pyrimidin-4-one IUPAC Name: 6-methyl-5-[(4-methylphenyl)methyl]-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-(4-methylbenzyl)-2-piperazin-4-ium-1-yl-1H-pyrimidin-4-one Formula: C17H23N4O+ MolecularWeight: 299.39072

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH2+]CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH2+]CC3)C

InChI

InChI=1S/C17H22N4O/c1-12-3-5-14(6-4-12)11-15-13(2)19-17(20-16(15)22)21-9-7-18-8-10-21/h3-6,18H,7-11H2,1-2H3,(H,19,20,22)/p+1