1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazine CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(2-pyridin-1-iumyl)piperazine IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-pyridin-1-ium-2-ylpiperazine Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-pyridin-1-ium-2-yl-piperazine Formula: C22H23ClN3O+ MolecularWeight: 380.89052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CCN1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H22ClN3O/c23-19-7-9-20(10-8-19)27-21-5-3-4-18(16-21)17-25-12-14-26(15-13-25)22-6-1-2-11-24-22/h1-11,16H,12-15,17H2/p+1