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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1C=CCC[N+]1(C2=C(N=CC=C2)Br)C(=O)OC(=O)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)C1C=CCC[N+]1(C2=C(N=CC=C2)Br)C(=O)OC(=O)NC(=O)OC(C)(C)C

InChI

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