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

Systemtic Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione Openeye Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione CAS Name: 5-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazin-4-iumyl]sulfonyl]-6-methyl-1H-pyrimidine-2,4-dione IUPAC Name: 5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-4-ium-1-yl]sulfonyl-6-methyl-1H-pyrimidine-2,4-dione Traditional Name: 6-methyl-5-(4-piperonylpiperazin-4-ium-1-yl)sulfonyl-uracil Formula: C17H21N4O6S+ MolecularWeight: 409.43684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H20N4O6S/c1-11-15(16(22)19-17(23)18-11)28(24,25)21-6-4-20(5-7-21)9-12-2-3-13-14(8-12)27-10-26-13/h2-3,8H,4-7,9-10H2,1H3,(H2,18,19,22,23)/p+1