4-[1-[3-(phenylmethyl)-3,9-diazoniabicyclo[3.3.1]nonan-9-yl]propan-2-yl]morpholin-4-ium trichloride trihydrate

Systemtic Name: 4-[1-[3-(phenylmethyl)-3,9-diazoniabicyclo[3.3.1]nonan-9-yl]propan-2-yl]morpholin-4-ium trichloride trihydrate Openeye Name: 4-[2-(3-benzyl-3,9-diazoniabicyclo[3.3.1]nonan-9-yl)-1-methyl-ethyl]morpholin-4-ium trichloride trihydrate CAS Name: 4-[1-[3-(phenylmethyl)-3,9-diazoniabicyclo[3.3.1]nonan-9-yl]propan-2-yl]morpholin-4-ium trichloride trihydrate IUPAC Name: 4-[1-(3-benzyl-3,9-diazoniabicyclo[3.3.1]nonan-9-yl)propan-2-yl]morpholin-4-ium trichloride trihydrate Traditional Name: 4-[2-(3-benzyl-3,9-diazoniabicyclo[3.3.1]nonan-9-yl)-1-methyl-ethyl]morpholin-4-ium trichloride trihydrate Formula: C21H42Cl3N3O4 MolecularWeight: 506.93488

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1C2CCCC1C[NH+](C2)CC3=CC=CC=C3)[NH+]4CCOCC4.O.O.O.[Cl-].[Cl-].[Cl-]

Isomeric SMILES

CC(C[NH+]1C2CCCC1C[NH+](C2)CC3=CC=CC=C3)[NH+]4CCOCC4.O.O.O.[Cl-].[Cl-].[Cl-]

InChI

InChI=1S/C21H33N3O.3ClH.3H2O/c1-18(23-10-12-25-13-11-23)14-24-20-8-5-9-21(24)17-22(16-20)15-19-6-3-2-4-7-19;;;;;;/h2-4,6-7,18,20-21H,5,8-17H2,1H3;3*1H;3*1H2