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

Systemtic Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione Openeye Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione CAS Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]-2,4-dimethyl-1,2,4-triazine-3,5-dione IUPAC Name: 6-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]-2,4-dimethyl-1,2,4-triazine-3,5-dione Traditional Name: 2,4-dimethyl-6-(4-piperonylpiperazin-4-ium-1-yl)-1,2,4-triazine-3,5-quinone Formula: C17H22N5O4+ MolecularWeight: 360.38768

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O4/c1-19-16(23)15(18-20(2)17(19)24)22-7-5-21(6-8-22)10-12-3-4-13-14(9-12)26-11-25-13/h3-4,9H,5-8,10-11H2,1-2H3/p+1