(2',2',3',3',4',4',5',5'-octadeuteriospiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride

Systemtic Name: (2',2',3',3',4',4',5',5'-octadeuteriospiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate chloride Openeye Name: (2',2',3',3',4',4',5',5'-octadeuteriospiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl) 2-hydroxy-2,2-diphenyl-acetate chloride CAS Name: 2-hydroxy-2,2-diphenylacetic acid (2',2',3',3',4',4',5',5'-octadeuterio-3-spiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]yl) ester chloride IUPAC Name: (2',2',3',3',4',4',5',5'-octadeuteriospiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl) 2-hydroxy-2,2-diphenylacetate chloride Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (2',2',3',3',4',4',5',5'-octadeuteriospiro[8-azoniabicyclo[3.2.1]octane-8,1'-azolidin-1-ium]-3-yl) ester chloride Formula: C25H30ClNO3 MolecularWeight: 436.012894

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[N+]2(C1)C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O.[Cl-]

Isomeric SMILES

[2H]C1(C(C([N+]2(C1([2H])[2H])C3CCC2CC(C3)OC(=O)C(C4=CC=CC=C4)(C5=CC=CC=C5)O)([2H])[2H])([2H])[2H])[2H].[Cl-]

InChI

InChI=1S/C25H30NO3.ClH/c27-24(25(28,19-9-3-1-4-10-19)20-11-5-2-6-12-20)29-23-17-21-13-14-22(18-23)26(21)15-7-8-16-26;/h1-6,9-12,21-23,28H,7-8,13-18H2;1H/q+1;/p-1/i7D2,8D2,15D2,16D2;