ethyl 4-[1-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]benzoate

Systemtic Name: ethyl 4-[1-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]benzoate Openeye Name: ethyl 4-[1-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]benzoate CAS Name: 4-[1-[(4-chlorophenyl)methyl]-1-piperazin-1-iumyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[1-[(4-chlorophenyl)methyl]piperazin-1-ium-1-yl]benzoate Traditional Name: 4-[1-(4-chlorobenzyl)piperazin-1-ium-1-yl]benzoic acid ethyl ester Formula: C20H24ClN2O2+ MolecularWeight: 359.86976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)[N+]2(CCNCC2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)[N+]2(CCNCC2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H24ClN2O2/c1-2-25-20(24)17-5-9-19(10-6-17)23(13-11-22-12-14-23)15-16-3-7-18(21)8-4-16/h3-10,22H,2,11-15H2,1H3/q+1