4-[4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole

Systemtic Name: 4-[4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-[(5-methyl-2-furanyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-[(5-methylfuran-2-yl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-[(5-methyl-2-furyl)methyl]piperazin-4-ium-1-yl]sulfonylbenzofurazan Formula: C16H19N4O4S+ MolecularWeight: 363.41146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

CC1=CC=C(O1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C16H18N4O4S/c1-12-5-6-13(23-12)11-19-7-9-20(10-8-19)25(21,22)15-4-2-3-14-16(15)18-24-17-14/h2-6H,7-11H2,1H3/p+1