N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine Openeye Name: 1-(4-benzyloxyphenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(4-phenylmethoxyphenyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(4-phenylmethoxyphenyl)methanimine Traditional Name: (E)-(4-benzoxybenzylidene)-[4-(4-chlorobenzyl)piperazin-4-ium-1-yl]amine Formula: C25H27ClN3O+ MolecularWeight: 420.95438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)N=CC3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)Cl)/N=C/C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H26ClN3O/c26-24-10-6-22(7-11-24)19-28-14-16-29(17-15-28)27-18-21-8-12-25(13-9-21)30-20-23-4-2-1-3-5-23/h1-13,18H,14-17,19-20H2/p+1/b27-18+