tert-butyl 3-(dimethylamino)-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 3-(dimethylamino)-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 3-(dimethylamino)-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate CAS Name: 3-(dimethylamino)-1-[(4-methoxycarbonylphenoxy)methyl]-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(dimethylamino)-1-[(4-methoxycarbonylphenoxy)methyl]pyrrolidin-1-ium-1-carboxylate Traditional Name: 1-[(4-carbomethoxyphenoxy)methyl]-3-(dimethylamino)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C20H31N2O5+ MolecularWeight: 379.47054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CCC(C1)N(C)C)COC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CCC(C1)N(C)C)COC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C20H31N2O5/c1-20(2,3)27-19(24)22(12-11-16(13-22)21(4)5)14-26-17-9-7-15(8-10-17)18(23)25-6/h7-10,16H,11-14H2,1-6H3/q+1