tert-butyl 5-butyl-1-(2-cyanophenyl)-5-methyl-1-oxidanidyl-pyrrolidin-1-ium-2-carboxylate

Systemtic Name: tert-butyl 5-butyl-1-(2-cyanophenyl)-5-methyl-1-oxidanidyl-pyrrolidin-1-ium-2-carboxylate Openeye Name: tert-butyl 5-butyl-1-(2-cyanophenyl)-5-methyl-1-oxido-pyrrolidin-1-ium-2-carboxylate CAS Name: 5-butyl-1-(2-cyanophenyl)-5-methyl-1-oxido-2-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-butyl-1-(2-cyanophenyl)-5-methyl-1-oxidopyrrolidin-1-ium-2-carboxylate Traditional Name: 5-butyl-1-(2-cyanophenyl)-5-methyl-1-oxido-pyrrolidin-1-ium-2-carboxylic acid tert-butyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(CCC([N+]1(C2=CC=CC=C2C#N)[O-])C(=O)OC(C)(C)C)C

Isomeric SMILES

CCCCC1(CCC([N+]1(C2=CC=CC=C2C#N)[O-])C(=O)OC(C)(C)C)C

InChI

InChI=1S/C21H30N2O3/c1-6-7-13-21(5)14-12-18(19(24)26-20(2,3)4)23(21,25)17-11-9-8-10-16(17)15-22/h8-11,18H,6-7,12-14H2,1-5H3