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

Systemtic Name: N-ethyl-6-[2-(3-fluorophenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-6-[2-(3-fluorophenyl)ethylamino]-N-phenyl-pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-6-[2-(3-fluorophenyl)ethylamino]-N-phenyl-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-6-[2-(3-fluorophenyl)ethylamino]-N-phenylpyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-6-[2-(3-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(=CC=C3)F

Isomeric SMILES

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

InChI

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