[1-ethylsulfonyl-1-[4-[fluoranyl(phenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[4-[fluoranyl(phenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-[fluoro(phenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-[fluoro(phenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-[fluoro(phenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-[fluoro(phenyl)methyl]phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C21H24FN2O2S+ MolecularWeight: 387.490863

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)C(C3=CC=CC=C3)F

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)C(C3=CC=CC=C3)F

InChI

InChI=1S/C21H24FN2O2S/c1-2-27(25,26)24(14-6-7-17(15-23)16-24)20-12-10-19(11-13-20)21(22)18-8-4-3-5-9-18/h3-13,16,21H,2,14-15,23H2,1H3/q+1