5-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium chloride hydrate

Systemtic Name: 5-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium chloride hydrate Openeye Name: 5-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium chloride hydrate CAS Name: 5-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium chloride hydrate IUPAC Name: 5-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium chloride hydrate Traditional Name: 5-phenyl-1,4,5,6-tetrahydropyrimidin-3-ium chloride hydrate Formula: C10H15ClN2O MolecularWeight: 214.6919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+]=CN1)C2=CC=CC=C2.O.[Cl-]

Isomeric SMILES

C1C(C[NH+]=CN1)C2=CC=CC=C2.O.[Cl-]

InChI

InChI=1S/C10H12N2.ClH.H2O/c1-2-4-9(5-3-1)10-6-11-8-12-7-10;;/h1-5,8,10H,6-7H2,(H,11,12);1H;1H2