N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine

Systemtic Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine Openeye Name: 1-(3-benzyloxyphenyl)-N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]methanimine CAS Name: N-[4-[(4-chlorophenyl)methyl]-1-piperazin-4-iumyl]-1-(3-phenylmethoxyphenyl)methanimine IUPAC Name: N-[4-[(4-chlorophenyl)methyl]piperazin-4-ium-1-yl]-1-(3-phenylmethoxyphenyl)methanimine Traditional Name: (Z)-(3-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(=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

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

InChI

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