3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol

Systemtic Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Openeye Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol CAS Name: 3-[[4-(4-fluorophenyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Traditional Name: 3-[[4-(4-fluorophenyl)piperazin-1-ium-1-yl]methyl]phenol Formula: C17H20FN2O+ MolecularWeight: 287.351903

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)O)C3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)O)C3=CC=C(C=C3)F

InChI

InChI=1S/C17H19FN2O/c18-15-4-6-16(7-5-15)20-10-8-19(9-11-20)13-14-2-1-3-17(21)12-14/h1-7,12,21H,8-11,13H2/p+1