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

Systemtic Name: 3-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-one Openeye Name: 3-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-one CAS Name: 3-methyl-6-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-1,3-benzoxazol-2-one IUPAC Name: 3-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-one Traditional Name: 3-methyl-6-(4-methylpiperazin-4-ium-1-yl)sulfonyl-1,3-benzoxazol-2-one Formula: C13H18N3O4S+ MolecularWeight: 312.36472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O4S/c1-14-5-7-16(8-6-14)21(18,19)10-3-4-11-12(9-10)20-13(17)15(11)2/h3-4,9H,5-8H2,1-2H3/p+1