tert-butyl 4-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[2-(4-chloranylphenoxy)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[2-(4-chlorophenoxy)ethylamino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C19H29ClN3O4+ MolecularWeight: 398.90426

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC(=O)NCCOC2=CC=C(C=C2)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH+](CC1)CC(=O)NCCOC2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H28ClN3O4/c1-19(2,3)27-18(25)23-11-9-22(10-12-23)14-17(24)21-8-13-26-16-6-4-15(20)5-7-16/h4-7H,8-14H2,1-3H3,(H,21,24)/p+1