N-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-oxo-2-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]ethyl]thiophene-2-carboxamide Formula: C20H26N3O2S+ MolecularWeight: 372.50434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1CC[NH+](CC1)CC2=CC=C(C=C2)CNC(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C20H25N3O2S/c24-19(14-22-20(25)18-5-4-12-26-18)21-13-16-6-8-17(9-7-16)15-23-10-2-1-3-11-23/h4-9,12H,1-3,10-11,13-15H2,(H,21,24)(H,22,25)/p+1