3-(phenylmethyl)-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride

Systemtic Name: 3-(phenylmethyl)-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride Openeye Name: 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride CAS Name: 3-(phenylmethyl)-9-[2-(1-piperidin-1-iumyl)ethyl]-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride IUPAC Name: 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride Traditional Name: 3-benzyl-9-(2-piperidin-1-ium-1-ylethyl)-9-aza-3-azoniabicyclo[3.3.1]nonane dichloride Formula: C21H35Cl2N3 MolecularWeight: 400.4287

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3CCCC2C[NH+](C3)CC4=CC=CC=C4.[Cl-].[Cl-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3CCCC2C[NH+](C3)CC4=CC=CC=C4.[Cl-].[Cl-]

InChI

InChI=1S/C21H33N3.2ClH/c1-3-8-19(9-4-1)16-23-17-20-10-7-11-21(18-23)24(20)15-14-22-12-5-2-6-13-22;;/h1,3-4,8-9,20-21H,2,5-7,10-18H2;2*1H