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

Systemtic Name: (2R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propanamide Openeye Name: (2R)-2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]propanamide CAS Name: (2R)-2-[4-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-1-piperazin-1-iumyl]propanamide IUPAC Name: (2R)-2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperazin-1-ium-1-yl]propanamide Traditional Name: (2R)-2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-ium-1-yl]propionamide Formula: C12H21N4O4S+ MolecularWeight: 317.38454

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H20N4O4S/c1-8-11(10(3)20-14-8)21(18,19)16-6-4-15(5-7-16)9(2)12(13)17/h9H,4-7H2,1-3H3,(H2,13,17)/p+1/t9-/m1/s1