tert-butyl 4-aminocarbonyl-4-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-aminocarbonyl-4-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-carbamoyl-4-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-carbamoyl-4-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-carbamoyl-4-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-carbamoyl-4-[2-[3-(4-cyanobenzyl)imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C23H31N6O3+ MolecularWeight: 439.53064

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](CC1)(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](CC1)(CCC2=CN=CN2CC3=CC=C(C=C3)C#N)C(=O)N

InChI

InChI=1S/C23H30N6O3/c1-23(2,3)32-22(31)27-9-12-29(13-10-27,21(25)30)11-8-20-15-26-17-28(20)16-19-6-4-18(14-24)5-7-19/h4-7,15,17H,8-13,16H2,1-3H3,(H-,25,30)/p+1