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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-dimethyl-pyrimidine-2,4-dione CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-1,3-dimethylpyrimidine-2,4-dione IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-1,3-dimethylpyrimidine-2,4-dione Traditional Name: 1,3-dimethyl-6-(4-piperonylpiperazin-4-ium-1-yl)pyrimidine-2,4-quinone Formula: C18H23N4O4+ MolecularWeight: 359.39962

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CC(=O)N(C1=O)C)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=CC(=O)N(C1=O)C)N2CC[NH+](CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C18H22N4O4/c1-19-16(10-17(23)20(2)18(19)24)22-7-5-21(6-8-22)11-13-3-4-14-15(9-13)26-12-25-14/h3-4,9-10H,5-8,11-12H2,1-2H3/p+1