N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxy-3-phenylmethoxy-phenyl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxy-3-phenylmethoxy-phenyl)methanimine Openeye Name: 1-(3-benzyloxy-4-methoxy-phenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-methoxy-3-phenylmethoxyphenyl)methanimine Traditional Name: (Z)-(3-benzoxy-4-methoxy-benzylidene)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]amine Formula: C26H29ClN3O2+ MolecularWeight: 450.98036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=NN2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)/C=N\N2CC[NH+](CC2)CC3=CC=C(C=C3)Cl)OCC4=CC=CC=C4

InChI

InChI=1S/C26H28ClN3O2/c1-31-25-12-9-23(17-26(25)32-20-22-5-3-2-4-6-22)18-28-30-15-13-29(14-16-30)19-21-7-10-24(27)11-8-21/h2-12,17-18H,13-16,19-20H2,1H3/p+1/b28-18-