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

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-thiazol-2-yl-acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(2-thiazolyl)acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(1,3-thiazol-2-yl)acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-thiazol-2-yl-acetamide Formula: C14H19N5OS+2 MolecularWeight: 305.39856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5OS/c20-13(17-14-16-5-10-21-14)11-18-6-8-19(9-7-18)12-3-1-2-4-15-12/h1-5,10H,6-9,11H2,(H,16,17,20)/p+2