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

Systemtic Name: 1-[(5-bromanyl-2,4-dimethoxy-phenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Openeye Name: 1-[(5-bromo-2,4-dimethoxy-phenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium CAS Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium IUPAC Name: 1-[(5-bromo-2,4-dimethoxyphenyl)methyl]-4-(3-chlorophenyl)piperazin-1-ium Traditional Name: 1-(5-bromo-2,4-dimethoxy-benzyl)-4-(3-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(=CC=C3)Cl)Br)OC

Isomeric SMILES

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

InChI

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