1,1-bis(oxidanylidene)-N-phenyl-3-(2-piperidin-1-ium-1-ylethylamino)-1-benzothiophene-2-carboxamide

Systemtic Name: 1,1-bis(oxidanylidene)-N-phenyl-3-(2-piperidin-1-ium-1-ylethylamino)-1-benzothiophene-2-carboxamide Openeye Name: 1,1-dioxo-N-phenyl-3-(2-piperidin-1-ium-1-ylethylamino)benzothiophene-2-carboxamide CAS Name: 1,1-dioxo-N-phenyl-3-[2-(1-piperidin-1-iumyl)ethylamino]-1-benzothiophene-2-carboxamide IUPAC Name: 1,1-dioxo-N-phenyl-3-(2-piperidin-1-ium-1-ylethylamino)-1-benzothiophene-2-carboxamide Traditional Name: 1,1-diketo-N-phenyl-3-(2-piperidin-1-ium-1-ylethylamino)benzothiophene-2-carboxamide Formula: C22H26N3O3S+ MolecularWeight: 412.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCNC2=C(S(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](CC1)CCNC2=C(S(=O)(=O)C3=CC=CC=C32)C(=O)NC4=CC=CC=C4

InChI

InChI=1S/C22H25N3O3S/c26-22(24-17-9-3-1-4-10-17)21-20(23-13-16-25-14-7-2-8-15-25)18-11-5-6-12-19(18)29(21,27)28/h1,3-6,9-12,23H,2,7-8,13-16H2,(H,24,26)/p+1