5-bromanyl-2-(4-fluorophenyl)-2-[[2-(1-hydroxyethyl)piperidin-4-yl]methyl]-3H-isoindol-2-ium-1-one

Systemtic Name: 5-bromanyl-2-(4-fluorophenyl)-2-[[2-(1-hydroxyethyl)piperidin-4-yl]methyl]-3H-isoindol-2-ium-1-one Openeye Name: 5-bromo-2-(4-fluorophenyl)-2-[[2-(1-hydroxyethyl)-4-piperidyl]methyl]isoindolin-2-ium-1-one CAS Name: 5-bromo-2-(4-fluorophenyl)-2-[[2-(1-hydroxyethyl)-4-piperidinyl]methyl]-3H-isoindol-2-ium-1-one IUPAC Name: 5-bromo-2-(4-fluorophenyl)-2-[[2-(1-hydroxyethyl)piperidin-4-yl]methyl]-3H-isoindol-2-ium-1-one Traditional Name: 5-bromo-2-(4-fluorophenyl)-2-[[2-(1-hydroxyethyl)-4-piperidyl]methyl]isoindolin-2-ium-1-one Formula: C22H25BrFN2O2+ MolecularWeight: 448.348503

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC(CCN1)C[N+]2(CC3=C(C2=O)C=CC(=C3)Br)C4=CC=C(C=C4)F)O

Isomeric SMILES

CC(C1CC(CCN1)C[N+]2(CC3=C(C2=O)C=CC(=C3)Br)C4=CC=C(C=C4)F)O

InChI

InChI=1S/C22H25BrFN2O2/c1-14(27)21-10-15(8-9-25-21)12-26(19-5-3-18(24)4-6-19)13-16-11-17(23)2-7-20(16)22(26)28/h2-7,11,14-15,21,25,27H,8-10,12-13H2,1H3/q+1