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

Systemtic Name: [1-ethylsulfonyl-1-[4-(4-fluoranylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(4-fluorophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(4-fluorophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(4-fluorophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-(4-fluorophenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C20H22FN2O3S+ MolecularWeight: 389.463683

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

Isomeric SMILES

CCS(=O)(=O)[N+]1(CC=CC(=C1)CN)C2=CC=C(C=C2)OC3=CC=C(C=C3)F

InChI

InChI=1S/C20H22FN2O3S/c1-2-27(24,25)23(13-3-4-16(14-22)15-23)18-7-11-20(12-8-18)26-19-9-5-17(21)6-10-19/h3-12,15H,2,13-14,22H2,1H3/q+1