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

Systemtic Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate Openeye Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate CAS Name: 6-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1,3-benzoxazol-2-olate IUPAC Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate Traditional Name: 6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-olate Formula: C12H15N3O4S MolecularWeight: 297.3302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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)