3-(phenylmethyl)-3-azoniabicyclo[2.1.1]hexane-4-carboxylic acid chloride

Systemtic Name: 3-(phenylmethyl)-3-azoniabicyclo[2.1.1]hexane-4-carboxylic acid chloride Openeye Name: 3-benzyl-3-azoniabicyclo[2.1.1]hexane-4-carboxylic acid chloride CAS Name: 3-(phenylmethyl)-3-azoniabicyclo[2.1.1]hexane-4-carboxylic acid chloride IUPAC Name: 3-benzyl-3-azoniabicyclo[2.1.1]hexane-4-carboxylic acid chloride Traditional Name: 3-benzyl-3-azoniabicyclo[2.1.1]hexane-4-carboxylic acid chloride Formula: C13H16ClNO2 MolecularWeight: 253.72464

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC1([NH+](C2)CC3=CC=CC=C3)C(=O)O.[Cl-]

Isomeric SMILES

C1C2CC1([NH+](C2)CC3=CC=CC=C3)C(=O)O.[Cl-]

InChI

InChI=1S/C13H15NO2.ClH/c15-12(16)13-6-11(7-13)9-14(13)8-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,15,16);1H