4-chloranyl-N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]benzenesulfonamide

Systemtic Name: 4-chloranyl-N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]benzenesulfonamide Openeye Name: 4-chloro-N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]benzenesulfonamide CAS Name: 4-chloro-N-[[6-(diethylamino)-3-pyridin-1-iumyl]methyl]benzenesulfonamide IUPAC Name: 4-chloro-N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]benzenesulfonamide Traditional Name: 4-chloro-N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]benzenesulfonamide Formula: C16H21ClN3O2S+ MolecularWeight: 354.87484

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=[NH+]C=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCN(CC)C1=[NH+]C=C(C=C1)CNS(=O)(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H20ClN3O2S/c1-3-20(4-2)16-10-5-13(11-18-16)12-19-23(21,22)15-8-6-14(17)7-9-15/h5-11,19H,3-4,12H2,1-2H3/p+1