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

Systemtic Name: N-[2-oxidanylidene-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Openeye Name: N-[2-oxo-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide CAS Name: N-[2-oxo-2-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]ethyl]-2-thiophenecarboxamide IUPAC Name: N-[2-oxo-2-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Traditional Name: N-[2-keto-2-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]ethyl]thiophene-2-carboxamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)C3=CC=CS3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)CNC(=O)C3=CC=CS3

InChI

InChI=1S/C17H20N4O2S/c22-16(12-19-17(23)15-2-1-11-24-15)21-9-7-20(8-10-21)13-14-3-5-18-6-4-14/h1-6,11H,7-10,12-13H2,(H,19,23)/p+1