2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate

Systemtic Name: 2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate Openeye Name: 2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate CAS Name: 2-[(E)-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]iminomethyl]benzoate IUPAC Name: 2-[(E)-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]benzoate Traditional Name: 2-[(E)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]iminomethyl]benzoate Formula: C19H20ClN3O2 MolecularWeight: 357.834

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)N=CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)/N=C/C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C19H20ClN3O2/c20-17-7-5-15(6-8-17)14-22-9-11-23(12-10-22)21-13-16-3-1-2-4-18(16)19(24)25/h1-8,13H,9-12,14H2,(H,24,25)/b21-13+