N,N-diethyl-6-(2-phenylsulfanylethylamino)pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-(2-phenylsulfanylethylamino)pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-(2-phenylsulfanylethylamino)pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[2-(phenylthio)ethylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-(2-phenylsulfanylethylamino)pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[2-(phenylthio)ethylamino]pyridin-1-ium-3-sulfonamide Formula: C17H24N3O2S2+ MolecularWeight: 366.52136

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCCSC2=CC=CC=C2

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCCSC2=CC=CC=C2

InChI

InChI=1S/C17H23N3O2S2/c1-3-20(4-2)24(21,22)16-10-11-17(19-14-16)18-12-13-23-15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,18,19)/p+1