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

Systemtic Name: 1-[[3-(4-chloranylphenoxy)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Openeye Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium CAS Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-(2-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(4-chlorophenoxy)phenyl]methyl]-4-pyridin-1-ium-2-ylpiperazin-1-ium Traditional Name: 1-[3-(4-chlorophenoxy)benzyl]-4-pyridin-1-ium-2-yl-piperazin-1-ium Formula: C22H24ClN3O+2 MolecularWeight: 381.89846

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=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+2