(8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate

Systemtic Name: (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-oxidanyl-2,2-diphenyl-ethanoate Openeye Name: (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenyl-acetate CAS Name: 2-hydroxy-2,2-diphenylacetic acid (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) 2-hydroxy-2,2-diphenylacetate Traditional Name: 2-hydroxy-2,2-diphenyl-acetic acid (8-methyl-8-propyl-8-azoniabicyclo[3.2.1]octan-3-yl) ester Formula: C25H32NO3+ MolecularWeight: 394.52648

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

Isomeric SMILES

CCC[N+]1(C2CCC1CC(C2)OC(=O)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C25H32NO3/c1-3-16-26(2)21-14-15-22(26)18-23(17-21)29-24(27)25(28,19-10-6-4-7-11-19)20-12-8-5-9-13-20/h4-13,21-23,28H,3,14-18H2,1-2H3/q+1