ethyl 2-(4-pyridin-2-ylpiperazin-1-yl)propanoate hydrate dihydrochloride

Systemtic Name: ethyl 2-(4-pyridin-2-ylpiperazin-1-yl)propanoate hydrate dihydrochloride Openeye Name: ethyl 2-[4-(2-pyridyl)piperazin-1-yl]propanoate hydrate dihydrochloride CAS Name: 2-[4-(2-pyridinyl)-1-piperazinyl]propanoic acid ethyl ester hydrate dihydrochloride IUPAC Name: ethyl 2-(4-pyridin-2-ylpiperazin-1-yl)propanoate hydrate dihydrochloride Traditional Name: 2-[4-(2-pyridyl)piperazino]propionic acid ethyl ester hydrate dihydrochloride Formula: C14H25Cl2N3O3 MolecularWeight: 354.2726

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1CCN(CC1)C2=CC=CC=N2.O.Cl.Cl

Isomeric SMILES

CCOC(=O)C(C)N1CCN(CC1)C2=CC=CC=N2.O.Cl.Cl

InChI

InChI=1S/C14H21N3O2.2ClH.H2O/c1-3-19-14(18)12(2)16-8-10-17(11-9-16)13-6-4-5-7-15-13;;;/h4-7,12H,3,8-11H2,1-2H3;2*1H;1H2