tert-butyl 3-[3-(4-cyanophenoxy)propyl]-3-oxidanidyl-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate

Systemtic Name: tert-butyl 3-[3-(4-cyanophenoxy)propyl]-3-oxidanidyl-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: tert-butyl 3-[3-(4-cyanophenoxy)propyl]-3-oxido-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate CAS Name: 3-[3-(4-cyanophenoxy)propyl]-3-oxido-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(4-cyanophenoxy)propyl]-3-oxido-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate Traditional Name: 3-[3-(4-cyanophenoxy)propyl]-3-oxido-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC(C1)C[N+](C2)(CCCOC3=CC=C(C=C3)C#N)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)C[N+](C2)(CCCOC3=CC=C(C=C3)C#N)[O-]

InChI

InChI=1S/C22H31N3O4/c1-22(2,3)29-21(26)24-13-18-11-19(14-24)16-25(27,15-18)9-4-10-28-20-7-5-17(12-23)6-8-20/h5-8,18-19H,4,9-11,13-16H2,1-3H3