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

Systemtic Name: N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridin-1-ium-3-sulfonamide Openeye Name: N-ethyl-N-phenyl-6-(2-thienylmethylamino)pyridin-1-ium-3-sulfonamide CAS Name: N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)-3-pyridin-1-iumsulfonamide IUPAC Name: N-ethyl-N-phenyl-6-(thiophen-2-ylmethylamino)pyridin-1-ium-3-sulfonamide Traditional Name: N-ethyl-N-phenyl-6-(2-thenylamino)pyridin-1-ium-3-sulfonamide Formula: C18H20N3O2S2+ MolecularWeight: 374.5003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CS3

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=C[NH+]=C(C=C2)NCC3=CC=CS3

InChI

InChI=1S/C18H19N3O2S2/c1-2-21(15-7-4-3-5-8-15)25(22,23)17-10-11-18(20-14-17)19-13-16-9-6-12-24-16/h3-12,14H,2,13H2,1H3,(H,19,20)/p+1