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

Systemtic Name: (2-methylpropan-2-yl)oxycarbonylcarbamoyl 1-(3-bromanyl-5-methyl-pyridin-2-yl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate Openeye Name: tert-butoxycarbonylcarbamoyl 1-(3-bromo-5-methyl-2-pyridyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate CAS Name: 1-(3-bromo-5-methyl-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-methylpyridin-2-yl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylate Traditional Name: 1-(3-bromo-5-methyl-2-pyridyl)-3,6-dihydro-2H-pyridin-1-ium-1-carboxylic acid tert-butoxycarbonylcarbamoyl ester Formula: C18H23BrN3O5+ MolecularWeight: 441.29632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)[N+]2(CCC=CC2)C(=O)OC(=O)NC(=O)OC(C)(C)C)Br

Isomeric SMILES

CC1=CC(=C(N=C1)[N+]2(CCC=CC2)C(=O)OC(=O)NC(=O)OC(C)(C)C)Br

InChI

InChI=1S/C18H22BrN3O5/c1-12-10-13(19)14(20-11-12)22(8-6-5-7-9-22)17(25)26-15(23)21-16(24)27-18(2,3)4/h5-6,10-11H,7-9H2,1-4H3/p+1