(3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cycloheptyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl ester IUPAC Name: (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl 2-cycloheptyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid (3,3-dimethyl-3-azoniabicyclo[3.2.1]octan-8-yl)methyl ester Formula: C25H38NO3+ MolecularWeight: 400.57412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC2CCC(C1)C2COC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C

Isomeric SMILES

C[N+]1(CC2CCC(C1)C2COC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C25H38NO3/c1-26(2)16-19-14-15-20(17-26)23(19)18-29-24(27)25(28,22-12-8-5-9-13-22)21-10-6-3-4-7-11-21/h5,8-9,12-13,19-21,23,28H,3-4,6-7,10-11,14-18H2,1-2H3/q+1