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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-(2,5-dimethylphenyl)piperazin-1-ium Formula: C21H28BrN2O2+ MolecularWeight: 420.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=C(C=C3Br)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC(=C(C=C3Br)OC)OC

InChI

InChI=1S/C21H27BrN2O2/c1-15-5-6-16(2)19(11-15)24-9-7-23(8-10-24)14-17-12-20(25-3)21(26-4)13-18(17)22/h5-6,11-13H,7-10,14H2,1-4H3/p+1