1-[3-fluoranyl-4-[4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[3-fluoranyl-4-[4-[(7-oxidanylisoquinolin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[3-fluoro-4-[4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[3-fluoro-4-[4-[(7-hydroxy-8-isoquinolinyl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[3-fluoro-4-[4-[(7-hydroxyisoquinolin-8-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[3-fluoro-4-[4-[(7-hydroxy-8-isoquinolyl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C22H23FN3O2+ MolecularWeight: 380.435323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3C=NC=C4)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CC3=C(C=CC4=C3C=NC=C4)O)F

InChI

InChI=1S/C22H22FN3O2/c1-15(27)17-2-4-21(20(23)12-17)26-10-8-25(9-11-26)14-19-18-13-24-7-6-16(18)3-5-22(19)28/h2-7,12-13,28H,8-11,14H2,1H3/p+1