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

Systemtic Name: (3S)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]oxolan-2-one Openeye Name: (3S)-3-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]tetrahydrofuran-2-one CAS Name: (3S)-3-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]-2-oxolanone IUPAC Name: (3S)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]oxolan-2-one Traditional Name: (3S)-3-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]tetrahydrofuran-2-one Formula: C13H20N3O5S+ MolecularWeight: 330.38

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)C3CCOC3=O

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CC[NH+](CC2)[C@H]3CCOC3=O

InChI

InChI=1S/C13H19N3O5S/c1-9-12(10(2)21-14-9)22(18,19)16-6-4-15(5-7-16)11-3-8-20-13(11)17/h11H,3-8H2,1-2H3/p+1/t11-/m0/s1