6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one CAS Name: 6-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-3H-1,3-benzoxazol-2-one IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-3H-1,3-benzoxazol-2-one Formula: C12H16N3O4S+ MolecularWeight: 298.33814

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)NC(=O)O3

InChI

InChI=1S/C12H15N3O4S/c1-14-4-6-15(7-5-14)20(17,18)9-2-3-10-11(8-9)19-12(16)13-10/h2-3,8H,4-7H2,1H3,(H,13,16)/p+1