N-ethyl-N-phenyl-6-(2-phenylsulfanylethylamino)pyridin-1-ium-3-sulfonamide

Systemtic Name: N-ethyl-N-phenyl-6-(2-phenylsulfanylethylamino)pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-(2-phenylsulfanylethylamino)pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-[2-(phenylthio)ethylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-N-phenyl-6-(2-phenylsulfanylethylamino)pyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-[2-(phenylthio)ethylamino]pyridin-1-ium-3-sulfonamide Formula: C21H24N3O2S2+ MolecularWeight: 414.56416

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCSC3=CC=CC=C3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O2S2/c1-2-24(18-9-5-3-6-10-18)28(25,26)20-13-14-21(23-17-20)22-15-16-27-19-11-7-4-8-12-19/h3-14,17H,2,15-16H2,1H3,(H,22,23)/p+1