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

Systemtic Name: N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[[6-(diethylamino)-3-pyridin-1-iumyl]methyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[[6-(diethylamino)pyridin-1-ium-3-yl]methyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H23N4O4S+ MolecularWeight: 379.45392

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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)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O4S/c1-4-20(5-2)17-9-7-14(11-18-17)12-19-26(24,25)15-8-6-13(3)16(10-15)21(22)23/h6-11,19H,4-5,12H2,1-3H3/p+1