3-(2-methylimino-1,3-thiazolidin-3-ium-3-yl)propanoic acid chloride hydrate

Systemtic Name: 3-(2-methylimino-1,3-thiazolidin-3-ium-3-yl)propanoic acid chloride hydrate Openeye Name: 3-(2-methyliminothiazolidin-3-ium-3-yl)propanoic acid chloride hydrate CAS Name: 3-(2-methylimino-3-thiazolidin-3-iumyl)propanoic acid chloride hydrate IUPAC Name: 3-(2-methylimino-1,3-thiazolidin-3-ium-3-yl)propanoic acid chloride hydrate Traditional Name: 3-(2-methyliminothiazolidin-3-ium-3-yl)propionic acid chloride hydrate Formula: C7H15ClN2O3S MolecularWeight: 242.7236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN=C1[NH+](CCS1)CCC(=O)O.O.[Cl-]

Isomeric SMILES

CN=C1[NH+](CCS1)CCC(=O)O.O.[Cl-]

InChI

InChI=1S/C7H12N2O2S.ClH.H2O/c1-8-7-9(4-5-12-7)3-2-6(10)11;;/h2-5H2,1H3,(H,10,11);1H;1H2