3-imidazol-1-yl-N-[2-(4-phenylmethoxyphenoxy)ethyl]propan-1-amine hydrate dihydrochloride

Systemtic Name: 3-imidazol-1-yl-N-[2-(4-phenylmethoxyphenoxy)ethyl]propan-1-amine hydrate dihydrochloride Openeye Name: N-[2-(4-benzyloxyphenoxy)ethyl]-3-imidazol-1-yl-propan-1-amine hydrate dihydrochloride CAS Name: 3-(1-imidazolyl)-N-[2-(4-phenylmethoxyphenoxy)ethyl]-1-propanamine hydrate dihydrochloride IUPAC Name: 3-imidazol-1-yl-N-[2-(4-phenylmethoxyphenoxy)ethyl]propan-1-amine hydrate dihydrochloride Traditional Name: 2-(4-benzoxyphenoxy)ethyl-(3-imidazol-1-ylpropyl)amine hydrate dihydrochloride Formula: C21H29Cl2N3O3 MolecularWeight: 442.37926

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCNCCCN3C=CN=C3.O.Cl.Cl

Isomeric SMILES

C1=CC=C(C=C1)COC2=CC=C(C=C2)OCCNCCCN3C=CN=C3.O.Cl.Cl

InChI

InChI=1S/C21H25N3O2.2ClH.H2O/c1-2-5-19(6-3-1)17-26-21-9-7-20(8-10-21)25-16-13-22-11-4-14-24-15-12-23-18-24;;;/h1-3,5-10,12,15,18,22H,4,11,13-14,16-17H2;2*1H;1H2