2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate chloride

Systemtic Name: 2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: 2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid 2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl ester chloride IUPAC Name: 2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid 2-(9-azoniabicyclo[3.3.1]nonan-9-yl)ethyl ester chloride Formula: C24H30ClNO3 MolecularWeight: 415.9529

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2CCCC(C1)[NH+]2CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

Isomeric SMILES

C1CC2CCCC(C1)[NH+]2CCOC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O.[Cl-]

InChI

InChI=1S/C24H29NO3.ClH/c26-23(28-18-17-25-21-13-7-14-22(25)16-8-15-21)24(27,19-9-3-1-4-10-19)20-11-5-2-6-12-20;/h1-6,9-12,21-22,27H,7-8,13-18H2;1H