N-[3-oxidanylidene-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide

Systemtic Name: N-[3-oxidanylidene-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide Openeye Name: N-[3-oxo-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide CAS Name: N-[3-oxo-3-[[4-(1-piperidin-1-iumylmethyl)phenyl]methylamino]propyl]-2-thiophenecarboxamide IUPAC Name: N-[3-oxo-3-[[4-(piperidin-1-ium-1-ylmethyl)phenyl]methylamino]propyl]thiophene-2-carboxamide Traditional Name: N-[3-keto-3-[[4-(piperidin-1-ium-1-ylmethyl)benzyl]amino]propyl]thiophene-2-carboxamide Formula: C21H28N3O2S+ MolecularWeight: 386.53092

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27N3O2S/c25-20(10-11-22-21(26)19-5-4-14-27-19)23-15-17-6-8-18(9-7-17)16-24-12-2-1-3-13-24/h4-9,14H,1-3,10-13,15-16H2,(H,22,26)(H,23,25)/p+1