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

Systemtic Name: 2-bromanyl-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Openeye Name: 2-bromo-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol CAS Name: 2-bromo-4-[[4-(2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-6-methoxyphenol IUPAC Name: 2-bromo-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxyphenol Traditional Name: 2-bromo-4-[[4-(2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-6-methoxy-phenol Formula: C18H21BrFN2O2+ MolecularWeight: 396.273943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3F)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C[NH+]2CCN(CC2)C3=CC=CC=C3F)Br)O

InChI

InChI=1S/C18H20BrFN2O2/c1-24-17-11-13(10-14(19)18(17)23)12-21-6-8-22(9-7-21)16-5-3-2-4-15(16)20/h2-5,10-11,23H,6-9,12H2,1H3/p+1