4-(4-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol

Systemtic Name: 4-(4-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Openeye Name: 4-(4-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol CAS Name: 4-(4-fluorophenyl)-2-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]phenol IUPAC Name: 4-(4-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Traditional Name: 4-(4-fluorophenyl)-2-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]phenol Formula: C22H24FN3O+2 MolecularWeight: 365.443863

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)O)C4=CC=CC=[NH+]4

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC(=C2)C3=CC=C(C=C3)F)O)C4=CC=CC=[NH+]4

InChI

InChI=1S/C22H22FN3O/c23-20-7-4-17(5-8-20)18-6-9-21(27)19(15-18)16-25-11-13-26(14-12-25)22-3-1-2-10-24-22/h1-10,15,27H,11-14,16H2/p+2