1-(1-phenylethylamino)-1-propyl-urea hydrate trihydrochloride

Systemtic Name: 1-(1-phenylethylamino)-1-propyl-urea hydrate trihydrochloride Openeye Name: 1-(1-phenylethylamino)-1-propyl-urea hydrate trihydrochloride CAS Name: 1-(1-phenylethylamino)-1-propylurea hydrate trihydrochloride IUPAC Name: 1-(1-phenylethylamino)-1-propylurea hydrate trihydrochloride Traditional Name: 1-(1-phenylethylamino)-1-propyl-urea hydrate trihydrochloride Formula: C12H24Cl3N3O2 MolecularWeight: 348.69686

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C(=O)N)NC(C)C1=CC=CC=C1.O.Cl.Cl.Cl

Isomeric SMILES

CCCN(C(=O)N)NC(C)C1=CC=CC=C1.O.Cl.Cl.Cl

InChI

InChI=1S/C12H19N3O.3ClH.H2O/c1-3-9-15(12(13)16)14-10(2)11-7-5-4-6-8-11;;;;/h4-8,10,14H,3,9H2,1-2H3,(H2,13,16);3*1H;1H2