1-[4-[4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]ethanone

Systemtic Name: 1-[4-[4-[(4,5-dimethyl-2-oxidanyl-phenyl)methyl]piperazin-4-ium-1-yl]-3-fluoranyl-phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(2-hydroxy-4,5-dimethyl-phenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(2-hydroxy-4,5-dimethylphenyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(2-hydroxy-4,5-dimethylphenyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-(2-hydroxy-4,5-dimethyl-benzyl)piperazin-4-ium-1-yl]phenyl]ethanone Formula: C21H26FN2O2+ MolecularWeight: 357.441743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

Isomeric SMILES

CC1=CC(=C(C=C1C)O)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F

InChI

InChI=1S/C21H25FN2O2/c1-14-10-18(21(26)11-15(14)2)13-23-6-8-24(9-7-23)20-5-4-17(16(3)25)12-19(20)22/h4-5,10-12,26H,6-9,13H2,1-3H3/p+1