2-(tert-butylsulfonylmethyl)-3-(1-oxidanidylpyridin-1-ium-4-yl)propanoic acid

Systemtic Name: 2-(tert-butylsulfonylmethyl)-3-(1-oxidanidylpyridin-1-ium-4-yl)propanoic acid Openeye Name: 2-(tert-butylsulfonylmethyl)-3-(1-oxidopyridin-1-ium-4-yl)propanoic acid CAS Name: 2-(tert-butylsulfonylmethyl)-3-(1-oxido-4-pyridin-1-iumyl)propanoic acid IUPAC Name: 2-(tert-butylsulfonylmethyl)-3-(1-oxidopyridin-1-ium-4-yl)propanoic acid Traditional Name: 2-(tert-butylsulfonylmethyl)-3-(1-oxidopyridin-1-ium-4-yl)propionic acid Formula: C13H19NO5S MolecularWeight: 301.35866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)S(=O)(=O)CC(CC1=CC=[N+](C=C1)[O-])C(=O)O

Isomeric SMILES

CC(C)(C)S(=O)(=O)CC(CC1=CC=[N+](C=C1)[O-])C(=O)O

InChI

InChI=1S/C13H19NO5S/c1-13(2,3)20(18,19)9-11(12(15)16)8-10-4-6-14(17)7-5-10/h4-7,11H,8-9H2,1-3H3,(H,15,16)