tert-butyl 5-(2-bromanylpyridin-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 5-(2-bromanylpyridin-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate Openeye Name: tert-butyl 5-(2-bromo-3-pyridyl)-1-(tert-butoxycarbonylcarbamoyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate CAS Name: 5-(2-bromo-3-pyridinyl)-1-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]-oxomethyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-(2-bromopyridin-3-yl)-1-[(2-methylpropan-2-yl)oxycarbonylcarbamoyl]-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate Traditional Name: 5-(2-bromo-3-pyridyl)-1-(tert-butoxycarbonylcarbamoyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid tert-butyl ester Formula: C21H29BrN3O5+ MolecularWeight: 483.37606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=O)[N+]1(CCC=C(C1)C2=C(N=CC=C2)Br)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)NC(=O)[N+]1(CCC=C(C1)C2=C(N=CC=C2)Br)C(=O)OC(C)(C)C

InChI

InChI=1S/C21H28BrN3O5/c1-20(2,3)29-18(27)24-17(26)25(19(28)30-21(4,5)6)12-8-9-14(13-25)15-10-7-11-23-16(15)22/h7,9-11H,8,12-13H2,1-6H3/p+1