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

Systemtic Name: 2-bromanyl-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-bromo-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-bromo-4-[[4-(3-chlorophenyl)-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-bromo-4-[[4-(3-chlorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-bromo-4-[[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)C[NH+]2CCN(CC2)C3=CC(=CC=C3)Cl)Br)O

Isomeric SMILES

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

InChI

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