4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]phenol

Systemtic Name: 4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methyl]piperazin-4-ium-1-yl]phenol Openeye Name: 4-[4-[(2-chloro-6-fluoro-phenyl)methyl]piperazin-4-ium-1-yl]phenol CAS Name: 4-[4-[(2-chloro-6-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenol IUPAC Name: 4-[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenol Traditional Name: 4-[4-(2-chloro-6-fluoro-benzyl)piperazin-4-ium-1-yl]phenol Formula: C17H19ClFN2O+ MolecularWeight: 321.796963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)O

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C=CC=C2Cl)F)C3=CC=C(C=C3)O

InChI

InChI=1S/C17H18ClFN2O/c18-16-2-1-3-17(19)15(16)12-20-8-10-21(11-9-20)13-4-6-14(22)7-5-13/h1-7,22H,8-12H2/p+1