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

Systemtic Name: 1-[(2-bromanyl-4,5-dimethoxy-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazine hydrochloride Openeye Name: 1-[(2-bromo-4,5-dimethoxy-phenyl)methyl]-4-(2,5-dimethylphenyl)piperazine hydrochloride CAS Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine hydrochloride IUPAC Name: 1-[(2-bromo-4,5-dimethoxyphenyl)methyl]-4-(2,5-dimethylphenyl)piperazine hydrochloride Traditional Name: 1-(2-bromo-4,5-dimethoxy-benzyl)-4-(2,5-dimethylphenyl)piperazine hydrochloride Formula: C21H28BrClN2O2 MolecularWeight: 455.81622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC.Cl

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CCN(CC2)CC3=CC(=C(C=C3Br)OC)OC.Cl

InChI

InChI=1S/C21H27BrN2O2.ClH/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;1H