[1-ethylsulfonyl-1-[3-(4-fluoranyl-2-propyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-ethylsulfonyl-1-[3-(4-fluoranyl-2-propyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[3-(4-fluoro-2-propyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[3-(4-fluoro-2-propylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[3-(4-fluoro-2-propylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[3-(4-fluoro-2-propyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C23H28FN2O3S+ MolecularWeight: 431.543423

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)F)OC2=CC=CC(=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC

Isomeric SMILES

CCCC1=C(C=CC(=C1)F)OC2=CC=CC(=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC

InChI

InChI=1S/C23H28FN2O3S/c1-3-7-19-14-20(24)11-12-23(19)29-22-10-5-9-21(15-22)26(30(27,28)4-2)13-6-8-18(16-25)17-26/h5-6,8-12,14-15,17H,3-4,7,13,16,25H2,1-2H3/q+1