(2-methylpropan-2-yl)oxycarbonylcarbamoyl 1-(3-bromanyl-5-chloranyl-pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate

Systemtic Name: (2-methylpropan-2-yl)oxycarbonylcarbamoyl 1-(3-bromanyl-5-chloranyl-pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate Openeye Name: tert-butoxycarbonylcarbamoyl 1-(3-bromo-5-chloro-2-pyridyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate CAS Name: 1-(3-bromo-5-chloro-2-pyridinyl)-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-(3-bromo-5-chloropyridin-2-yl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate Traditional Name: 1-(3-bromo-5-chloro-2-pyridyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid tert-butoxycarbonylcarbamoyl ester Formula: C17H20BrClN3O5+ MolecularWeight: 461.7148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC(=O)OC(=O)[N+]1(CCC=CC1)C2=C(C=C(C=N2)Cl)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC(=O)OC(=O)[N+]1(CCC=CC1)C2=C(C=C(C=N2)Cl)Br

InChI

InChI=1S/C17H19BrClN3O5/c1-17(2,3)27-15(24)21-14(23)26-16(25)22(7-5-4-6-8-22)13-12(18)9-11(19)10-20-13/h4-5,9-10H,6-8H2,1-3H3/p+1