N,N-diethyl-6-[(4-methylphenyl)methylamino]pyridin-1-ium-3-sulfonamide

Systemtic Name: N,N-diethyl-6-[(4-methylphenyl)methylamino]pyridin-1-ium-3-sulfonamide Openeye Name: N,N-diethyl-6-(p-tolylmethylamino)pyridin-1-ium-3-sulfonamide CAS Name: N,N-diethyl-6-[(4-methylphenyl)methylamino]-3-pyridin-1-iumsulfonamide IUPAC Name: N,N-diethyl-6-[(4-methylphenyl)methylamino]pyridin-1-ium-3-sulfonamide Traditional Name: N,N-diethyl-6-[(4-methylbenzyl)amino]pyridin-1-ium-3-sulfonamide Formula: C17H24N3O2S+ MolecularWeight: 334.45636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)C

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=C[NH+]=C(C=C1)NCC2=CC=C(C=C2)C

InChI

InChI=1S/C17H23N3O2S/c1-4-20(5-2)23(21,22)16-10-11-17(19-13-16)18-12-15-8-6-14(3)7-9-15/h6-11,13H,4-5,12H2,1-3H3,(H,18,19)/p+1