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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(4-methylphenyl)-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(p-tolyl)-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-6-(4-methylphenyl)-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-6-(4-methylphenyl)-1H-pyrimidin-4-one Traditional Name: 2-(4-piperonylpiperazin-4-ium-1-yl)-6-(p-tolyl)-1H-pyrimidin-4-one Formula: C23H25N4O3+ MolecularWeight: 405.4696

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=O)N=C(N2)N3CC[NH+](CC3)CC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C23H24N4O3/c1-16-2-5-18(6-3-16)19-13-22(28)25-23(24-19)27-10-8-26(9-11-27)14-17-4-7-20-21(12-17)30-15-29-20/h2-7,12-13H,8-11,14-15H2,1H3,(H,24,25,28)/p+1