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

Systemtic Name: tert-butyl 4-aminocarbonyl-4-[2-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-carbamoyl-4-[2-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-carbamoyl-4-[2-[3-[(4-chlorophenyl)methyl]-4-imidazolyl]ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-carbamoyl-4-[2-[3-[(4-chlorophenyl)methyl]imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-carbamoyl-4-[2-[3-(4-chlorobenzyl)imidazol-4-yl]ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C22H31ClN5O3+ MolecularWeight: 448.96624

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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)Cl)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C22H30ClN5O3/c1-22(2,3)31-21(30)26-9-12-28(13-10-26,20(24)29)11-8-19-14-25-16-27(19)15-17-4-6-18(23)7-5-17/h4-7,14,16H,8-13,15H2,1-3H3,(H-,24,29)/p+1