1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(2,3-dimethylphenyl)piperazin-1-ium Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-(2,3-dimethylphenyl)piperazin-1-ium Formula: C21H28BrN2O2+ MolecularWeight: 420.36322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)Br)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CC[NH+](CC2)CC3=CC(=C(C=C3OC)OC)Br)C

InChI

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