3-[4-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-4-ium-1-yl]propylazanium

Systemtic Name: 3-[4-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-4-ium-1-yl]propylazanium Openeye Name: 3-[4-[2-oxo-2-(thiazol-2-ylamino)ethyl]piperazin-4-ium-1-yl]propylammonium CAS Name: 3-[4-[2-oxo-2-(2-thiazolylamino)ethyl]-1-piperazin-4-iumyl]propylammonium IUPAC Name: 3-[4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-4-ium-1-yl]propylazanium Traditional Name: 3-[4-[2-keto-2-(thiazol-2-ylamino)ethyl]piperazin-4-ium-1-yl]propylammonium Formula: C12H23N5OS+2 MolecularWeight: 285.40892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=NC=CS2)CCC[NH3+]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=NC=CS2)CCC[NH3+]

InChI

InChI=1S/C12H21N5OS/c13-2-1-4-16-5-7-17(8-6-16)10-11(18)15-12-14-3-9-19-12/h3,9H,1-2,4-8,10,13H2,(H,14,15,18)/p+2