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

Systemtic Name: tert-butyl (1S,5R)-7-(phenylmethyl)-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl (1S,5R)-7-benzyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylate CAS Name: (1S,5R)-7-(phenylmethyl)-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,5R)-7-benzyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: (1S,5R)-7-benzyl-3-aza-7-azoniabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C19H29N2O2+ MolecularWeight: 317.44576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC(C1)C[NH+](C2)CC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H28N2O2/c1-19(2,3)23-18(22)21-13-16-9-17(14-21)12-20(11-16)10-15-7-5-4-6-8-15/h4-8,16-17H,9-14H2,1-3H3/p+1/t16-,17+