(Z)-(5-methyl-1,3-thiazolidin-3-ium-2-ylidene)-pyridin-2-yl-azanium dichloride dihydrate

Systemtic Name: (Z)-(5-methyl-1,3-thiazolidin-3-ium-2-ylidene)-pyridin-2-yl-azanium dichloride dihydrate Openeye Name: (Z)-(5-methylthiazolidin-3-ium-2-ylidene)-(2-pyridyl)ammonium dichloride dihydrate CAS Name: (Z)-(5-methyl-2-thiazolidin-3-iumylidene)-(2-pyridinyl)ammonium dichloride dihydrate IUPAC Name: (Z)-(5-methyl-1,3-thiazolidin-3-ium-2-ylidene)-pyridin-2-ylazanium dichloride dihydrate Traditional Name: (Z)-(5-methylthiazolidin-3-ium-2-ylidene)-(2-pyridyl)ammonium dichloride dihydrate Formula: C9H17Cl2N3O2S MolecularWeight: 302.22118

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]C(=[NH+]C2=CC=CC=N2)S1.O.O.[Cl-].[Cl-]

Isomeric SMILES

CC1C[NH2+]/C(=[NH+]/C2=CC=CC=N2)/S1.O.O.[Cl-].[Cl-]

InChI

InChI=1S/C9H11N3S.2ClH.2H2O/c1-7-6-11-9(13-7)12-8-4-2-3-5-10-8;;;;/h2-5,7H,6H2,1H3,(H,10,11,12);2*1H;2*1H2