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

Systemtic Name: 6-methyl-5-[(4-methylphenyl)methyl]-2-[4-(phenylmethyl)piperazin-4-ium-1-yl]-1H-pyrimidin-4-one Openeye Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 6-methyl-5-[(4-methylphenyl)methyl]-2-[4-(phenylmethyl)-1-piperazin-4-iumyl]-1H-pyrimidin-4-one IUPAC Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 2-(4-benzylpiperazin-4-ium-1-yl)-6-methyl-5-(4-methylbenzyl)-1H-pyrimidin-4-one Formula: C24H29N4O+ MolecularWeight: 389.51326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH+](CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C24H28N4O/c1-18-8-10-20(11-9-18)16-22-19(2)25-24(26-23(22)29)28-14-12-27(13-15-28)17-21-6-4-3-5-7-21/h3-11H,12-17H2,1-2H3,(H,25,26,29)/p+1