diethyl-[2-[3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]ethyl]azanium dichloride

Systemtic Name: diethyl-[2-[3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]ethyl]azanium dichloride Openeye Name: 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethyl-ammonium dichloride CAS Name: diethyl-[2-[3-(phenylmethyl)-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl]ethyl]ammonium dichloride IUPAC Name: 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethylazanium dichloride Traditional Name: 2-(3-benzyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl-diethyl-ammonium dichloride Formula: C20H35Cl2N3 MolecularWeight: 388.418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H33N3.2ClH/c1-3-21(4-2)13-14-23-19-11-8-12-20(23)17-22(16-19)15-18-9-6-5-7-10-18;;/h5-7,9-10,19-20H,3-4,8,11-17H2,1-2H3;2*1H