ethyl 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanoate

Systemtic Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]ethanoate Openeye Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetate CAS Name: 2-[4-(4-chlorophenyl)-1-piperazin-1-iumyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetate Traditional Name: 2-[4-(4-chlorophenyl)piperazin-1-ium-1-yl]acetic acid ethyl ester Formula: C14H20ClN2O2+ MolecularWeight: 283.7738

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCOC(=O)C[NH+]1CCN(CC1)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C14H19ClN2O2/c1-2-19-14(18)11-16-7-9-17(10-8-16)13-5-3-12(15)4-6-13/h3-6H,2,7-11H2,1H3/p+1