2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-(p-tolylmethyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-4-one Traditional Name: 6-methyl-5-(4-methylbenzyl)-2-(4-piperonylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C25H29N4O3+ MolecularWeight: 433.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

Isomeric SMILES

CC1=CC=C(C=C1)CC2=C(NC(=NC2=O)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5)C

InChI

InChI=1S/C25H28N4O3/c1-17-3-5-19(6-4-17)13-21-18(2)26-25(27-24(21)30)29-11-9-28(10-12-29)15-20-7-8-22-23(14-20)32-16-31-22/h3-8,14H,9-13,15-16H2,1-2H3,(H,26,27,30)/p+1