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

Systemtic Name: tert-butyl 1-[(4-methoxycarbonylphenoxy)-oxidanyl-methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-[hydroxy-(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 1-[hydroxy-(4-methoxycarbonylphenoxy)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[hydroxy-(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxyphenoxy)-hydroxy-methyl]pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C18H26NO6+ MolecularWeight: 352.40214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCCC1)C(O)OC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCCC1)C(O)OC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C18H26NO6/c1-18(2,3)25-17(22)19(11-5-6-12-19)16(21)24-14-9-7-13(8-10-14)15(20)23-4/h7-10,16,21H,5-6,11-12H2,1-4H3/q+1