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

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(4-chlorophenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-(4-chlorophenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-chlorophenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(4-chlorophenyl)piperazin-1-ium Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-(4-chlorophenyl)piperazin-1-ium Formula: C19H23BrClN2O2+ MolecularWeight: 426.75512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)Cl)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1C[NH+]2CCN(CC2)C3=CC=C(C=C3)Cl)Br)OC

InChI

InChI=1S/C19H22BrClN2O2/c1-24-18-12-19(25-2)17(20)11-14(18)13-22-7-9-23(10-8-22)16-5-3-15(21)4-6-16/h3-6,11-12H,7-10,13H2,1-2H3/p+1