1-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl]piperazine-1,4-diium

Systemtic Name: 1-[2-(2-bromanyl-6-chloranyl-4-methyl-phenoxy)ethyl]piperazine-1,4-diium Openeye Name: 1-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]piperazine-1,4-diium IUPAC Name: 1-[2-(2-bromo-6-chloro-4-methylphenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-[2-(2-bromo-6-chloro-4-methyl-phenoxy)ethyl]piperazine-1,4-diium Formula: C13H20BrClN2O+2 MolecularWeight: 335.6677

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Br)OCC[NH+]2CC[NH2+]CC2)Cl

Isomeric SMILES

CC1=CC(=C(C(=C1)Br)OCC[NH+]2CC[NH2+]CC2)Cl

InChI

InChI=1S/C13H18BrClN2O/c1-10-8-11(14)13(12(15)9-10)18-7-6-17-4-2-16-3-5-17/h8-9,16H,2-7H2,1H3/p+2