diethyl-[3-[3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]propyl]azanium dichloride trihydrate

Systemtic Name: diethyl-[3-[3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]propyl]azanium dichloride trihydrate Openeye Name: 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethyl-ammonium dichloride trihydrate CAS Name: diethyl-[3-[3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]propyl]ammonium dichloride trihydrate IUPAC Name: 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethylazanium dichloride trihydrate Traditional Name: 3-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)propyl-diethyl-ammonium dichloride trihydrate Formula: C21H43Cl2N3O3 MolecularWeight: 456.49042

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CCC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.O.O.O.[Cl-].[Cl-]

Isomeric SMILES

CC[NH+](CC)CCC[NH+]1C2CCCC1CN(C2)CC3=CC=CC=C3.O.O.O.[Cl-].[Cl-]

InChI

InChI=1S/C21H35N3.2ClH.3H2O/c1-3-22(4-2)14-9-15-24-20-12-8-13-21(24)18-23(17-20)16-19-10-6-5-7-11-19;;;;;/h5-7,10-11,20-21H,3-4,8-9,12-18H2,1-2H3;2*1H;3*1H2