tert-butyl 3-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-3-oxidanidyl-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate

Systemtic Name: tert-butyl 3-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-3-oxidanidyl-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: tert-butyl 3-[3-(4-cyanophenoxy)-2-hydroxy-propyl]-3-oxido-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate CAS Name: 3-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3-oxido-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(4-cyanophenoxy)-2-hydroxypropyl]-3-oxido-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate Traditional Name: 3-[3-(4-cyanophenoxy)-2-hydroxy-propyl]-3-oxido-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylic acid tert-butyl ester Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC(C1)C[N+](C2)(CC(COC3=CC=C(C=C3)C#N)O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)C[N+](C2)(CC(COC3=CC=C(C=C3)C#N)O)[O-]

InChI

InChI=1S/C22H31N3O5/c1-22(2,3)30-21(27)24-10-17-8-18(11-24)13-25(28,12-17)14-19(26)15-29-20-6-4-16(9-23)5-7-20/h4-7,17-19,26H,8,10-15H2,1-3H3