1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(4-ethanoylpiperazin-1-ium-1-yl)ethanone Openeye Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(4-acetyl-1-piperazin-1-iumyl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(4-acetylpiperazin-1-ium-1-yl)-1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]ethanone Formula: C20H29N4O6S+ MolecularWeight: 453.53246

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC(=O)N2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H28N4O6S/c1-16(25)22-6-4-21(5-7-22)15-20(26)23-8-10-24(11-9-23)31(27,28)17-2-3-18-19(14-17)30-13-12-29-18/h2-3,14H,4-13,15H2,1H3/p+1