1-[3-(2-bromanyl-4-chloranyl-phenoxy)propyl]piperazin-4-ium

Systemtic Name: 1-[3-(2-bromanyl-4-chloranyl-phenoxy)propyl]piperazin-4-ium Openeye Name: 1-[3-(2-bromo-4-chloro-phenoxy)propyl]piperazin-4-ium CAS Name: 1-[3-(2-bromo-4-chlorophenoxy)propyl]piperazin-4-ium IUPAC Name: 1-[3-(2-bromo-4-chlorophenoxy)propyl]piperazin-4-ium Traditional Name: 1-[3-(2-bromo-4-chloro-phenoxy)propyl]piperazin-4-ium Formula: C13H19BrClN2O+ MolecularWeight: 334.65976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CCCOC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

C1CN(CC[NH2+]1)CCCOC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C13H18BrClN2O/c14-12-10-11(15)2-3-13(12)18-9-1-6-17-7-4-16-5-8-17/h2-3,10,16H,1,4-9H2/p+1