1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium

Systemtic Name: 1-[(4-bromanyl-2,5-dimethoxy-phenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Openeye Name: 1-[(4-bromo-2,5-dimethoxy-phenyl)methyl]-4-(o-tolyl)piperazin-1-ium CAS Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium IUPAC Name: 1-[(4-bromo-2,5-dimethoxyphenyl)methyl]-4-(2-methylphenyl)piperazin-1-ium Traditional Name: 1-(4-bromo-2,5-dimethoxy-benzyl)-4-(o-tolyl)piperazin-1-ium Formula: C20H26BrN2O2+ MolecularWeight: 406.33664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)Br)OC

Isomeric SMILES

CC1=CC=CC=C1N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)Br)OC

InChI

InChI=1S/C20H25BrN2O2/c1-15-6-4-5-7-18(15)23-10-8-22(9-11-23)14-16-12-20(25-3)17(21)13-19(16)24-2/h4-7,12-13H,8-11,14H2,1-3H3/p+1