1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-methyl-piperazine-1,4-diium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-methylpiperazine-1,4-diium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-methyl-piperazine-1,4-diium Formula: C14H23BrN2O2+2 MolecularWeight: 331.24862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2Br)OC)OC

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC2=CC(=C(C=C2Br)OC)OC

InChI

InChI=1S/C14H21BrN2O2/c1-16-4-6-17(7-5-16)10-11-8-13(18-2)14(19-3)9-12(11)15/h8-9H,4-7,10H2,1-3H3/p+2