N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide

Systemtic Name: N-[2-oxidanylidene-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[4-(2-pyridin-1-iumyl)-1-piperazinyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-oxo-2-(4-pyridin-1-ium-2-ylpiperazin-1-yl)ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-(4-pyridin-1-ium-2-ylpiperazino)ethyl]thiophene-2-carboxamide Formula: C16H19N4O2S+ MolecularWeight: 331.41266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C16H18N4O2S/c21-15(12-18-16(22)13-4-3-11-23-13)20-9-7-19(8-10-20)14-5-1-2-6-17-14/h1-6,11H,7-10,12H2,(H,18,22)/p+1