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

Systemtic Name: 4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Openeye Name: 4-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole CAS Name: 4-[[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]sulfonyl]-2,1,3-benzoxadiazole IUPAC Name: 4-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]sulfonyl-2,1,3-benzoxadiazole Traditional Name: 4-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]sulfonylbenzofurazan Formula: C18H21N4O3S+ MolecularWeight: 373.44934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC4=NON=C43

InChI

InChI=1S/C18H20N4O3S/c1-14-5-2-3-6-15(14)13-21-9-11-22(12-10-21)26(23,24)17-8-4-7-16-18(17)20-25-19-16/h2-8H,9-13H2,1H3/p+1