N-(4-oxidanylidene-1,3-thiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-(4-oxidanylidene-1,3-thiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-(4-oxothiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-(4-oxo-2-thiazolyl)-2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-(4-oxo-1,3-thiazol-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-(4-keto-2-thiazolin-2-yl)-2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)acetamide Formula: C14H19N5O2S+2 MolecularWeight: 321.39796

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC(=O)CS2)C3=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC(=O)CS2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C14H17N5O2S/c20-12(16-14-17-13(21)10-22-14)9-18-5-7-19(8-6-18)11-3-1-2-4-15-11/h1-4H,5-10H2,(H,16,17,20,21)/p+2