tert-butyl (1S,5R)-9-oxidanylidene-7-(phenylmethyl)-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: tert-butyl (1S,5R)-9-oxidanylidene-7-(phenylmethyl)-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl (1S,5R)-7-benzyl-9-oxo-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylate CAS Name: (1S,5R)-9-oxo-7-(phenylmethyl)-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,5R)-7-benzyl-9-oxo-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: (1S,5R)-7-benzyl-9-keto-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C19H27N2O3+ MolecularWeight: 331.42928

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2C[NH+](CC(C1)C2=O)CC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C[C@H]2C[NH+](C[C@@H](C1)C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C19H26N2O3/c1-19(2,3)24-18(23)21-12-15-10-20(11-16(13-21)17(15)22)9-14-7-5-4-6-8-14/h4-8,15-16H,9-13H2,1-3H3/p+1/t15-,16+