2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole

Systemtic Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole Openeye Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole CAS Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-oxadiazole IUPAC Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole Traditional Name: 2-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-oxadiazole Formula: C16H21N4O5S+ MolecularWeight: 381.42674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NN=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C16H20N4O5S/c1-12-17-18-16(25-12)11-19-4-6-20(7-5-19)26(21,22)13-2-3-14-15(10-13)24-9-8-23-14/h2-3,10H,4-9,11H2,1H3/p+1