1-[2-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]ethylcarbamoyloxymethyl]-1-methyl-4H-pyridin-1-ium-3-carboxylate

Systemtic Name: 1-[2-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]ethylcarbamoyloxymethyl]-1-methyl-4H-pyridin-1-ium-3-carboxylate Openeye Name: 1-[2-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]ethylcarbamoyloxymethyl]-1-methyl-4H-pyridin-1-ium-3-carboxylate CAS Name: 1-[[[2-[3,4-bis(2,2-dimethyl-1-oxopropoxy)phenyl]ethylamino]-oxomethoxy]methyl]-1-methyl-4H-pyridin-1-ium-3-carboxylate IUPAC Name: 1-[2-[3,4-bis(2,2-dimethylpropanoyloxy)phenyl]ethylcarbamoyloxymethyl]-1-methyl-4H-pyridin-1-ium-3-carboxylate Traditional Name: 1-[2-(3,4-dipivaloyloxyphenyl)ethylcarbamoyloxymethyl]-1-methyl-4H-pyridin-1-ium-3-carboxylate Formula: C27H36N2O8 MolecularWeight: 516.58334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OC1=C(C=C(C=C1)CCNC(=O)OC[N+]2(C=CCC(=C2)C(=O)[O-])C)OC(=O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C(=O)OC1=C(C=C(C=C1)CCNC(=O)OC[N+]2(C=CCC(=C2)C(=O)[O-])C)OC(=O)C(C)(C)C

InChI

InChI=1S/C27H36N2O8/c1-26(2,3)23(32)36-20-11-10-18(15-21(20)37-24(33)27(4,5)6)12-13-28-25(34)35-17-29(7)14-8-9-19(16-29)22(30)31/h8,10-11,14-16H,9,12-13,17H2,1-7H3,(H-,28,30,31,34)