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

Systemtic Name: 2-[4-[[3-(4-chloranylphenoxy)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine Openeye Name: 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine CAS Name: 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]-1-piperazin-4-iumyl]pyrimidine IUPAC Name: 2-[4-[[3-(4-chlorophenoxy)phenyl]methyl]piperazin-4-ium-1-yl]pyrimidine Traditional Name: 2-[4-[3-(4-chlorophenoxy)benzyl]piperazin-4-ium-1-yl]pyrimidine Formula: C21H22ClN4O+ MolecularWeight: 381.87858

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C4=NC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)OC3=CC=C(C=C3)Cl)C4=NC=CC=N4

InChI

InChI=1S/C21H21ClN4O/c22-18-5-7-19(8-6-18)27-20-4-1-3-17(15-20)16-25-11-13-26(14-12-25)21-23-9-2-10-24-21/h1-10,15H,11-14,16H2/p+1