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

Systemtic Name: 1-[6-(2-bromanyl-4-methyl-phenoxy)hexyl]piperazine-1,4-diium Openeye Name: 1-[6-(2-bromo-4-methyl-phenoxy)hexyl]piperazine-1,4-diium CAS Name: 1-[6-(2-bromo-4-methylphenoxy)hexyl]piperazine-1,4-diium IUPAC Name: 1-[6-(2-bromo-4-methylphenoxy)hexyl]piperazine-1,4-diium Traditional Name: 1-[6-(2-bromo-4-methyl-phenoxy)hexyl]piperazine-1,4-diium Formula: C17H29BrN2O+2 MolecularWeight: 357.32896

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H27BrN2O/c1-15-6-7-17(16(18)14-15)21-13-5-3-2-4-10-20-11-8-19-9-12-20/h6-7,14,19H,2-5,8-13H2,1H3/p+2