tert-butyl 4-[(4-cyanophenyl)methyl]-2-(2-cyanopyrrolidin-1-yl)carbonyl-1-(methylamino)pyrrolidin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(4-cyanophenyl)methyl]-2-(2-cyanopyrrolidin-1-yl)carbonyl-1-(methylamino)pyrrolidin-1-ium-1-carboxylate Openeye Name: tert-butyl 4-[(4-cyanophenyl)methyl]-2-(2-cyanopyrrolidine-1-carbonyl)-1-(methylamino)pyrrolidin-1-ium-1-carboxylate CAS Name: 4-[(4-cyanophenyl)methyl]-2-[(2-cyano-1-pyrrolidinyl)-oxomethyl]-1-(methylamino)-1-pyrrolidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(4-cyanophenyl)methyl]-2-(2-cyanopyrrolidine-1-carbonyl)-1-(methylamino)pyrrolidin-1-ium-1-carboxylate Traditional Name: 4-(4-cyanobenzyl)-2-(2-cyanopyrrolidine-1-carbonyl)-1-(methylamino)pyrrolidin-1-ium-1-carboxylic acid tert-butyl ester Formula: C24H32N5O3+ MolecularWeight: 438.54258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCCC2C#N)CC3=CC=C(C=C3)C#N)NC

Isomeric SMILES

CC(C)(C)OC(=O)[N+]1(CC(CC1C(=O)N2CCCC2C#N)CC3=CC=C(C=C3)C#N)NC

InChI

InChI=1S/C24H32N5O3/c1-24(2,3)32-23(31)29(27-4)16-19(12-17-7-9-18(14-25)10-8-17)13-21(29)22(30)28-11-5-6-20(28)15-26/h7-10,19-21,27H,5-6,11-13,16H2,1-4H3/q+1