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

Systemtic Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Openeye Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole CAS Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-5-methylisoxazole IUPAC Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,2-oxazole Traditional Name: 3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-5-methyl-isoxazole Formula: C17H22N3O5S+ MolecularWeight: 380.43868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=CC(=NO1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H21N3O5S/c1-13-10-14(18-25-13)12-19-4-6-20(7-5-19)26(21,22)15-2-3-16-17(11-15)24-9-8-23-16/h2-3,10-11H,4-9,12H2,1H3/p+1