6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione

Systemtic Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-1-iumyl]methyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-ium-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-[(4-piperonylpiperazin-1-ium-1-yl)methyl]pyrimidine-2,4-quinone Formula: C19H25N4O4+ MolecularWeight: 373.4262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)C[NH+]2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C19H24N4O4/c1-20-15(10-18(24)21(2)19(20)25)12-23-7-5-22(6-8-23)11-14-3-4-16-17(9-14)27-13-26-16/h3-4,9-10H,5-8,11-13H2,1-2H3/p+1