ethyl 1-(4-chlorophenyl)-2-ethyl-2-(1-phenylethoxy)piperazin-1-ium-1-carboxylate

Systemtic Name: ethyl 1-(4-chlorophenyl)-2-ethyl-2-(1-phenylethoxy)piperazin-1-ium-1-carboxylate Openeye Name: ethyl 1-(4-chlorophenyl)-2-ethyl-2-(1-phenylethoxy)piperazin-1-ium-1-carboxylate CAS Name: 1-(4-chlorophenyl)-2-ethyl-2-(1-phenylethoxy)-1-piperazin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chlorophenyl)-2-ethyl-2-(1-phenylethoxy)piperazin-1-ium-1-carboxylate Traditional Name: 1-(4-chlorophenyl)-2-ethyl-2-(1-phenylethoxy)piperazin-1-ium-1-carboxylic acid ethyl ester Formula: C23H30ClN2O3+ MolecularWeight: 417.9489

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CNCC[N+]1(C2=CC=C(C=C2)Cl)C(=O)OCC)OC(C)C3=CC=CC=C3

Isomeric SMILES

CCC1(CNCC[N+]1(C2=CC=C(C=C2)Cl)C(=O)OCC)OC(C)C3=CC=CC=C3

InChI

InChI=1S/C23H30ClN2O3/c1-4-23(29-18(3)19-9-7-6-8-10-19)17-25-15-16-26(23,22(27)28-5-2)21-13-11-20(24)12-14-21/h6-14,18,25H,4-5,15-17H2,1-3H3/q+1