3-(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)propylazanium dibromide hydrate

Systemtic Name: 3-(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)propylazanium dibromide hydrate Openeye Name: 3-(4,5-dihydrothiazol-3-ium-2-ylamino)propylammonium dibromide hydrate CAS Name: 3-(4,5-dihydrothiazol-3-ium-2-ylamino)propylammonium dibromide hydrate IUPAC Name: 3-(4,5-dihydro-1,3-thiazol-3-ium-2-ylamino)propylazanium dibromide hydrate Traditional Name: 3-(2-thiazolin-3-ium-2-ylamino)propylammonium dibromide hydrate Formula: C6H17Br2N3OS MolecularWeight: 339.09168

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=[NH+]1)NCCC[NH3+].O.[Br-].[Br-]

Isomeric SMILES

C1CSC(=[NH+]1)NCCC[NH3+].O.[Br-].[Br-]

InChI

InChI=1S/C6H13N3S.2BrH.H2O/c7-2-1-3-8-6-9-4-5-10-6;;;/h1-5,7H2,(H,8,9);2*1H;1H2