1-[4-(4-bromanylphenoxy)butyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[4-(4-bromanylphenoxy)butyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[4-(4-bromophenoxy)butyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[4-(4-bromophenoxy)butyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-[4-(4-bromophenoxy)butyl]-4-methyl-piperazine-1,4-diium Formula: C15H25BrN2O+2 MolecularWeight: 329.2758

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)Br

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CCCCOC2=CC=C(C=C2)Br

InChI

InChI=1S/C15H23BrN2O/c1-17-9-11-18(12-10-17)8-2-3-13-19-15-6-4-14(16)5-7-15/h4-7H,2-3,8-13H2,1H3/p+2