4-bromanyl-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol

Systemtic Name: 4-bromanyl-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 4-bromo-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 4-bromo-2-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 4-bromo-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 4-bromo-2-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C18H21BrClN2O2+ MolecularWeight: 412.72854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)Br)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)Br)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)O

InChI

InChI=1S/C18H20BrClN2O2/c1-24-17-10-14(19)9-13(18(17)23)12-21-5-7-22(8-6-21)16-4-2-3-15(20)11-16/h2-4,9-11,23H,5-8,12H2,1H3/p+1