tert-butyl N-(1-oxidanidylpyridin-1-ium-2-yl)-N-(3-oxidanylbutyl)carbamate

Systemtic Name: tert-butyl N-(1-oxidanidylpyridin-1-ium-2-yl)-N-(3-oxidanylbutyl)carbamate Openeye Name: tert-butyl N-(3-hydroxybutyl)-N-(1-oxidopyridin-1-ium-2-yl)carbamate CAS Name: N-(3-hydroxybutyl)-N-(1-oxido-2-pyridin-1-iumyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-(3-hydroxybutyl)-N-(1-oxidopyridin-1-ium-2-yl)carbamate Traditional Name: N-(3-hydroxybutyl)-N-(1-oxidopyridin-1-ium-2-yl)carbamic acid tert-butyl ester Formula: C14H22N2O4 MolecularWeight: 282.33548

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCN(C1=CC=CC=[N+]1[O-])C(=O)OC(C)(C)C)O

Isomeric SMILES

CC(CCN(C1=CC=CC=[N+]1[O-])C(=O)OC(C)(C)C)O

InChI

InChI=1S/C14H22N2O4/c1-11(17)8-10-15(13(18)20-14(2,3)4)12-7-5-6-9-16(12)19/h5-7,9,11,17H,8,10H2,1-4H3