4-bromanyl-2-[[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol

Systemtic Name: 4-bromanyl-2-[[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Openeye Name: 4-bromo-2-[[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol CAS Name: 4-bromo-2-[[4-[(3-fluorophenyl)methyl]-1-piperazine-1,4-diiumyl]methyl]phenol IUPAC Name: 4-bromo-2-[[4-[(3-fluorophenyl)methyl]piperazine-1,4-diium-1-yl]methyl]phenol Traditional Name: 4-bromo-2-[[4-(3-fluorobenzyl)piperazine-1,4-diium-1-yl]methyl]phenol Formula: C18H22BrFN2O+2 MolecularWeight: 381.282483

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)F)CC3=C(C=CC(=C3)Br)O

Isomeric SMILES

C1C[NH+](CC[NH+]1CC2=CC(=CC=C2)F)CC3=C(C=CC(=C3)Br)O

InChI

InChI=1S/C18H20BrFN2O/c19-16-4-5-18(23)15(11-16)13-22-8-6-21(7-9-22)12-14-2-1-3-17(20)10-14/h1-5,10-11,23H,6-9,12-13H2/p+2