3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Openeye Name: 3-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one CAS Name: 3-[[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]methyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Traditional Name: 3-[[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-benzoxazol-2-one Formula: C17H21N4O5S+ MolecularWeight: 393.43744

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)CN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C17H20N4O5S/c1-12-16(13(2)26-18-12)27(23,24)20-9-7-19(8-10-20)11-21-14-5-3-4-6-15(14)25-17(21)22/h3-6H,7-11H2,1-2H3/p+1