tert-butyl 2-[1-(3,4,5-triacetyloxy-6-methoxycarbonyl-oxan-2-yl)pyridin-1-ium-3-yl]pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[1-(3,4,5-triacetyloxy-6-methoxycarbonyl-oxan-2-yl)pyridin-1-ium-3-yl]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[1-(3,4,5-triacetoxy-6-methoxycarbonyl-tetrahydropyran-2-yl)pyridin-1-ium-3-yl]pyrrolidine-1-carboxylate CAS Name: 2-[1-(3,4,5-triacetyloxy-6-methoxycarbonyl-2-oxanyl)-3-pyridin-1-iumyl]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[1-(3,4,5-triacetyloxy-6-methoxycarbonyloxan-2-yl)pyridin-1-ium-3-yl]pyrrolidine-1-carboxylate Traditional Name: 2-[1-(3,4,5-triacetoxy-6-carbomethoxy-tetrahydropyran-2-yl)pyridin-1-ium-3-yl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C27H37N2O11+ MolecularWeight: 565.58948

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1C(C(OC(C1OC(=O)C)[N+]2=CC=CC(=C2)C3CCCN3C(=O)OC(C)(C)C)C(=O)OC)OC(=O)C

Isomeric SMILES

CC(=O)OC1C(C(OC(C1OC(=O)C)[N+]2=CC=CC(=C2)C3CCCN3C(=O)OC(C)(C)C)C(=O)OC)OC(=O)C

InChI

InChI=1S/C27H37N2O11/c1-15(30)36-20-21(37-16(2)31)23(25(33)35-7)39-24(22(20)38-17(3)32)28-12-8-10-18(14-28)19-11-9-13-29(19)26(34)40-27(4,5)6/h8,10,12,14,19-24H,9,11,13H2,1-7H3/q+1