[(4S)-3-methyl-3-(2-methylprop-2-enyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: [(4S)-3-methyl-3-(2-methylprop-2-enyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-oxidanyl-2-phenyl-ethanoate Openeye Name: [(4S)-3-methyl-3-(2-methylallyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenyl-acetate CAS Name: 2-cycloheptyl-2-hydroxy-2-phenylacetic acid [(4S)-3-methyl-3-(2-methylprop-2-enyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] ester IUPAC Name: [(4S)-3-methyl-3-(2-methylprop-2-enyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] 2-cycloheptyl-2-hydroxy-2-phenylacetate Traditional Name: 2-cycloheptyl-2-hydroxy-2-phenyl-acetic acid [(4S)-3-methyl-3-(2-methylallyl)-3-azoniabicyclo[2.2.1]heptan-7-yl] ester Formula: C26H38NO3+ MolecularWeight: 412.58482

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[N+]1(CC2CCC1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C

Isomeric SMILES

CC(=C)C[N+]1(CC2CC[C@H]1C2OC(=O)C(C3CCCCCC3)(C4=CC=CC=C4)O)C

InChI

InChI=1S/C26H38NO3/c1-19(2)17-27(3)18-20-15-16-23(27)24(20)30-25(28)26(29,22-13-9-6-10-14-22)21-11-7-4-5-8-12-21/h6,9-10,13-14,20-21,23-24,29H,1,4-5,7-8,11-12,15-18H2,2-3H3/q+1/t20?,23-,24?,26?,27?/m0/s1