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

Systemtic Name: tert-butyl 4-aminocarbonyl-4-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-carbamoyl-4-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-carbamoyl-4-[2-(3-phenethyl-4-imidazolyl)ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-carbamoyl-4-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-carbamoyl-4-[2-(3-phenethylimidazol-4-yl)ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C23H34N5O3+ MolecularWeight: 428.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[N+](CC1)(CCC2=CN=CN2CCC3=CC=CC=C3)C(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[N+](CC1)(CCC2=CN=CN2CCC3=CC=CC=C3)C(=O)N

InChI

InChI=1S/C23H33N5O3/c1-23(2,3)31-22(30)26-12-15-28(16-13-26,21(24)29)14-10-20-17-25-18-27(20)11-9-19-7-5-4-6-8-19/h4-8,17-18H,9-16H2,1-3H3,(H-,24,29)/p+1