4-[3-[3-(phenylmethyl)-3,9-diazabicyclo[3.3.1]nonan-9-yl]propyl]morpholine trihydrate trihydrochloride

Systemtic Name: 4-[3-[3-(phenylmethyl)-3,9-diazabicyclo[3.3.1]nonan-9-yl]propyl]morpholine trihydrate trihydrochloride Openeye Name: 4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine trihydrate trihydrochloride CAS Name: 4-[3-[3-(phenylmethyl)-3,9-diazabicyclo[3.3.1]nonan-9-yl]propyl]morpholine trihydrate trihydrochloride IUPAC Name: 4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine trihydrate trihydrochloride Traditional Name: 4-[3-(3-benzyl-3,9-diazabicyclo[3.3.1]nonan-9-yl)propyl]morpholine trihydrate trihydrochloride Formula: C21H42Cl3N3O4 MolecularWeight: 506.93488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC2CN(CC(C1)N2CCCN3CCOCC3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl

Isomeric SMILES

C1CC2CN(CC(C1)N2CCCN3CCOCC3)CC4=CC=CC=C4.O.O.O.Cl.Cl.Cl

InChI

InChI=1S/C21H33N3O.3ClH.3H2O/c1-2-6-19(7-3-1)16-23-17-20-8-4-9-21(18-23)24(20)11-5-10-22-12-14-25-15-13-22;;;;;;/h1-3,6-7,20-21H,4-5,8-18H2;3*1H;3*1H2