[1-cyclopropylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine

Systemtic Name: [1-cyclopropylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Openeye Name: [1-cyclopropylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine CAS Name: [1-cyclopropylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine IUPAC Name: [1-cyclopropylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methanamine Traditional Name: [1-cyclopropylsulfonyl-1-[4-[2-(trifluoromethyl)phenoxy]phenyl]-2H-pyridin-1-ium-5-yl]methylamine Formula: C22H22F3N2O3S+ MolecularWeight: 451.48189

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1S(=O)(=O)[N+]2(CC=CC(=C2)CN)C3=CC=C(C=C3)OC4=CC=CC=C4C(F)(F)F

Isomeric SMILES

C1CC1S(=O)(=O)[N+]2(CC=CC(=C2)CN)C3=CC=C(C=C3)OC4=CC=CC=C4C(F)(F)F

InChI

InChI=1S/C22H22F3N2O3S/c23-22(24,25)20-5-1-2-6-21(20)30-18-9-7-17(8-10-18)27(31(28,29)19-11-12-19)13-3-4-16(14-26)15-27/h1-10,15,19H,11-14,26H2/q+1