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

Systemtic Name: 1-[2-(4-bromanyl-2-methyl-phenoxy)ethyl]piperazine-1,4-diium Openeye Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]piperazine-1,4-diium CAS Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]piperazine-1,4-diium IUPAC Name: 1-[2-(4-bromo-2-methylphenoxy)ethyl]piperazine-1,4-diium Traditional Name: 1-[2-(4-bromo-2-methyl-phenoxy)ethyl]piperazine-1,4-diium Formula: C13H21BrN2O+2 MolecularWeight: 301.22264

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O/c1-11-10-12(14)2-3-13(11)17-9-8-16-6-4-15-5-7-16/h2-3,10,15H,4-9H2,1H3/p+2