N-ethyl-6-[2-(4-fluorophenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-6-[2-(4-fluorophenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[2-(4-fluorophenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[2-(4-fluorophenyl)ethylamino]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[2-(4-fluorophenyl)ethylamino]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[2-(4-fluorophenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide Formula: C21H23FN3O2S+ MolecularWeight: 400.489623

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)F

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCC3=CC=C(C=C3)F

InChI

InChI=1S/C21H22FN3O2S/c1-2-25(19-6-4-3-5-7-19)28(26,27)20-12-13-21(24-16-20)23-15-14-17-8-10-18(22)11-9-17/h3-13,16H,2,14-15H2,1H3,(H,23,24)/p+1