tert-butyl 2-acetyloxy-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 2-acetyloxy-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 2-acetoxy-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 2-acetyloxy-1-[(4-methoxycarbonylphenoxy)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-acetyloxy-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 2-acetoxy-1-[(4-carbomethoxyphenoxy)methyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C20H28NO7+ MolecularWeight: 394.43882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1CCC[N+]1(COC2=CC=C(C=C2)C(=O)OC)C(=O)OC(C)(C)C

Isomeric SMILES

CC(=O)OC1CCC[N+]1(COC2=CC=C(C=C2)C(=O)OC)C(=O)OC(C)(C)C

InChI

InChI=1S/C20H28NO7/c1-14(22)27-17-7-6-12-21(17,19(24)28-20(2,3)4)13-26-16-10-8-15(9-11-16)18(23)25-5/h8-11,17H,6-7,12-13H2,1-5H3/q+1