1-[3-fluoranyl-4-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(2-oxidanylnaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(2-hydroxy-1-naphthalenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(2-hydroxynaphthalen-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[(2-hydroxy-1-naphthyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C23H24FN2O2+ MolecularWeight: 379.447263

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=CC=CC=C43)O)F

InChI

InChI=1S/C23H23FN2O2/c1-16(27)18-6-8-22(21(24)14-18)26-12-10-25(11-13-26)15-20-19-5-3-2-4-17(19)7-9-23(20)28/h2-9,14,28H,10-13,15H2,1H3/p+1