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

Systemtic Name: 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]phenolate Openeye Name: 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]phenolate CAS Name: 4-[(E)-[4-[(2-chlorophenyl)methyl]-1-piperazin-4-iumyl]iminomethyl]phenolate IUPAC Name: 4-[(E)-[4-[(2-chlorophenyl)methyl]piperazin-4-ium-1-yl]iminomethyl]phenolate Traditional Name: 4-[(E)-[4-(2-chlorobenzyl)piperazin-4-ium-1-yl]iminomethyl]phenolate Formula: C18H20ClN3O MolecularWeight: 329.8239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)N=CC3=CC=C(C=C3)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2Cl)/N=C/C3=CC=C(C=C3)[O-]

InChI

InChI=1S/C18H20ClN3O/c19-18-4-2-1-3-16(18)14-21-9-11-22(12-10-21)20-13-15-5-7-17(23)8-6-15/h1-8,13,23H,9-12,14H2/b20-13+