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

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-5-(2-hydroxyethyl)-6-methyl-1H-pyrimidin-4-one Traditional Name: 5-(2-hydroxyethyl)-6-methyl-2-(4-piperonylpiperazin-4-ium-1-yl)-1H-pyrimidin-4-one Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CCO

Isomeric SMILES

CC1=C(C(=O)N=C(N1)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4)CCO

InChI

InChI=1S/C19H24N4O4/c1-13-15(4-9-24)18(25)21-19(20-13)23-7-5-22(6-8-23)11-14-2-3-16-17(10-14)27-12-26-16/h2-3,10,24H,4-9,11-12H2,1H3,(H,20,21,25)/p+1