tert-butyl 7-ethanoyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; tert-butyl N-pyridin-1-ium-3-ylcarbamate; bromide

Systemtic Name: tert-butyl 7-ethanoyl-8-oxidanylidene-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; tert-butyl N-pyridin-1-ium-3-ylcarbamate; bromide Openeye Name: tert-butyl 7-acetyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; tert-butyl N-pyridin-1-ium-3-ylcarbamate; bromide CAS Name: 7-acetyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester; N-(3-pyridin-1-iumyl)carbamic acid tert-butyl ester; bromide IUPAC Name: tert-butyl 7-acetyl-8-oxo-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate; tert-butyl N-pyridin-1-ium-3-ylcarbamate; bromide Traditional Name: 7-acetyl-8-keto-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid tert-butyl ester; N-pyridin-1-ium-3-ylcarbamic acid tert-butyl ester; bromide Formula: C24H34BrN3O6 MolecularWeight: 540.44726

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1C2CCC=C(N2C1=O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NC1=C[NH+]=CC=C1.[Br-]

Isomeric SMILES

CC(=O)C1C2CCC=C(N2C1=O)C(=O)OC(C)(C)C.CC(C)(C)OC(=O)NC1=C[NH+]=CC=C1.[Br-]

InChI

InChI=1S/C14H19NO4.C10H14N2O2.BrH/c1-8(16)11-9-6-5-7-10(15(9)12(11)17)13(18)19-14(2,3)4;1-10(2,3)14-9(13)12-8-5-4-6-11-7-8;/h7,9,11H,5-6H2,1-4H3;4-7H,1-3H3,(H,12,13);1H