6-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)-1-oxidanidyl-pyridin-1-ium-3-ol

Systemtic Name: 6-[2-(tert-butylamino)-1-oxidanyl-ethyl]-2-(hydroxymethyl)-1-oxidanidyl-pyridin-1-ium-3-ol Openeye Name: 6-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-(hydroxymethyl)-1-oxido-pyridin-1-ium-3-ol CAS Name: 6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)-1-oxido-3-pyridin-1-iumol IUPAC Name: 6-[2-(tert-butylamino)-1-hydroxyethyl]-2-(hydroxymethyl)-1-oxidopyridin-1-ium-3-ol Traditional Name: 6-[2-(tert-butylamino)-1-hydroxy-ethyl]-2-methylol-1-oxido-pyridin-1-ium-3-ol Formula: C12H20N2O4 MolecularWeight: 256.2982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NCC(C1=[N+](C(=C(C=C1)O)CO)[O-])O

Isomeric SMILES

CC(C)(C)NCC(C1=[N+](C(=C(C=C1)O)CO)[O-])O

InChI

InChI=1S/C12H20N2O4/c1-12(2,3)13-6-11(17)8-4-5-10(16)9(7-15)14(8)18/h4-5,11,13,15-17H,6-7H2,1-3H3