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

Systemtic Name: [1-ethylsulfonyl-1-[4-(4-fluoranyl-2-propyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-ethylsulfonyl-1-[4-(4-fluoro-2-propyl-phenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-ethylsulfonyl-1-[4-(4-fluoro-2-propylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-ethylsulfonyl-1-[4-(4-fluoro-2-propylphenoxy)phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-esyl-1-[4-(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=C(C=C2)[N+]3(CC=CC(=C3)CN)S(=O)(=O)CC

Isomeric SMILES

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

InChI

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