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

Systemtic Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-methyl-1,3-thiazole Openeye Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-methyl-thiazole CAS Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazin-1-iumyl]methyl]-2-methylthiazole IUPAC Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-methyl-1,3-thiazole Traditional Name: 4-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-ium-1-yl]methyl]-2-methyl-thiazole Formula: C17H22N3O4S2+ MolecularWeight: 396.50428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC1=NC(=CS1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C17H21N3O4S2/c1-13-18-14(12-25-13)11-19-4-6-20(7-5-19)26(21,22)15-2-3-16-17(10-15)24-9-8-23-16/h2-3,10,12H,4-9,11H2,1H3/p+1