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

Systemtic Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]ethanoate Openeye Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetate CAS Name: 2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]acetate IUPAC Name: 2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]acetate Formula: C11H17N3O5S MolecularWeight: 303.33478

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N3O5S/c1-8-11(9(2)19-12-8)20(17,18)14-5-3-13(4-6-14)7-10(15)16/h3-7H2,1-2H3,(H,15,16)