ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[2-(2,4-dichlorophenyl)ethylamino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C17H24Cl2N3O3+ MolecularWeight: 389.29676

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCC2=C(C=C(C=C2)Cl)Cl

InChI

InChI=1S/C17H23Cl2N3O3/c1-2-25-17(24)22-9-7-21(8-10-22)12-16(23)20-6-5-13-3-4-14(18)11-15(13)19/h3-4,11H,2,5-10,12H2,1H3,(H,20,23)/p+1