4-[2-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]-5-fluoranyl-phenyl]-2-methyl-butan-2-ol

Systemtic Name: 4-[2-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]-5-fluoranyl-phenyl]-2-methyl-butan-2-ol Openeye Name: 4-[2-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]-5-fluoro-phenyl]-2-methyl-butan-2-ol CAS Name: 4-[2-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]-5-fluorophenyl]-2-methyl-2-butanol IUPAC Name: 4-[2-[3-[5-(aminomethyl)-1-ethylsulfonyl-2H-pyridin-1-ium-1-yl]phenoxy]-5-fluorophenyl]-2-methylbutan-2-ol Traditional Name: 4-[2-[3-[5-(aminomethyl)-1-esyl-2H-pyridin-1-ium-1-yl]phenoxy]-5-fluoro-phenyl]-2-methyl-butan-2-ol Formula: C25H32FN2O4S+ MolecularWeight: 475.595983

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H32FN2O4S/c1-4-33(30,31)28(14-6-7-19(17-27)18-28)22-8-5-9-23(16-22)32-24-11-10-21(26)15-20(24)12-13-25(2,3)29/h5-11,15-16,18,29H,4,12-14,17,27H2,1-3H3/q+1