1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-[[4-[3,4-bis(fluoranyl)phenoxy]phenyl]methyl]piperazin-4-ium Openeye Name: 1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperazin-4-ium CAS Name: 1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-[[4-(3,4-difluorophenoxy)phenyl]methyl]piperazin-4-ium Traditional Name: 1-[4-(3,4-difluorophenoxy)benzyl]piperazin-4-ium Formula: C17H19F2N2O+ MolecularWeight: 305.342366

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)OC3=CC(=C(C=C3)F)F

Isomeric SMILES

C1CN(CC[NH2+]1)CC2=CC=C(C=C2)OC3=CC(=C(C=C3)F)F

InChI

InChI=1S/C17H18F2N2O/c18-16-6-5-15(11-17(16)19)22-14-3-1-13(2-4-14)12-21-9-7-20-8-10-21/h1-6,11,20H,7-10,12H2/p+1