3-(phenylmethyl)-9-(2-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane hydrate trihydrochloride

Systemtic Name: 3-(phenylmethyl)-9-(2-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane hydrate trihydrochloride Openeye Name: 3-benzyl-9-[2-(1-piperidyl)propyl]-3,9-diazabicyclo[3.3.1]nonane hydrate trihydrochloride CAS Name: 3-(phenylmethyl)-9-[2-(1-piperidinyl)propyl]-3,9-diazabicyclo[3.3.1]nonane hydrate trihydrochloride IUPAC Name: 3-benzyl-9-(2-piperidin-1-ylpropyl)-3,9-diazabicyclo[3.3.1]nonane hydrate trihydrochloride Traditional Name: 3-benzyl-9-(2-piperidinopropyl)-3,9-diazabicyclo[3.3.1]nonane hydrate trihydrochloride Formula: C22H40Cl3N3O MolecularWeight: 468.9315

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Descriptors Computed from Structure

Canonical SMILES:

CC(CN1C2CCCC1CN(C2)CC3=CC=CC=C3)N4CCCCC4.O.Cl.Cl.Cl

Isomeric SMILES

CC(CN1C2CCCC1CN(C2)CC3=CC=CC=C3)N4CCCCC4.O.Cl.Cl.Cl

InChI

InChI=1S/C22H35N3.3ClH.H2O/c1-19(24-13-6-3-7-14-24)15-25-21-11-8-12-22(25)18-23(17-21)16-20-9-4-2-5-10-20;;;;/h2,4-5,9-10,19,21-22H,3,6-8,11-18H2,1H3;3*1H;1H2