tert-butyl 4-[2-[(4-chlorophenyl)carbonylamino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(4-chlorophenyl)carbonylamino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-[(4-chlorobenzoyl)amino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(4-chlorophenyl)-oxomethyl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(4-chlorobenzoyl)amino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[(4-chlorobenzoyl)amino]ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C18H27ClN3O3+ MolecularWeight: 368.87828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCNC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CCNC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C18H26ClN3O3/c1-18(2,3)25-17(24)22-12-10-21(11-13-22)9-8-20-16(23)14-4-6-15(19)7-5-14/h4-7H,8-13H2,1-3H3,(H,20,23)/p+1