tert-butyl (1S,2S)-1-methyl-1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]pyrrolidin-1-ium-2-carboxylate

Systemtic Name: tert-butyl (1S,2S)-1-methyl-1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Openeye Name: tert-butyl (1S,2S)-1-[(4-tert-butoxycarbonylphenyl)methyl]-1-methyl-pyrrolidin-1-ium-2-carboxylate CAS Name: (1S,2S)-1-methyl-1-[[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]methyl]-2-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S)-1-methyl-1-[[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]methyl]pyrrolidin-1-ium-2-carboxylate Traditional Name: (1S,2S)-1-(4-tert-butoxycarbonylbenzyl)-1-methyl-pyrrolidin-1-ium-2-carboxylic acid tert-butyl ester Formula: C22H34NO4+ MolecularWeight: 376.50966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCC[N+]1(C)CC2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)[C@@H]1CCC[N@@+]1(C)CC2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H34NO4/c1-21(2,3)26-19(24)17-12-10-16(11-13-17)15-23(7)14-8-9-18(23)20(25)27-22(4,5)6/h10-13,18H,8-9,14-15H2,1-7H3/q+1/t18-,23-/m0/s1