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

Systemtic Name: cyclopentyl 3-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-3-oxidanidyl-7-aza-3-azoniabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: cyclopentyl 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 cyclopentyl ester IUPAC Name: cyclopentyl 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 cyclopentyl ester Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)OC(=O)N2CC3CC(C2)C[N+](C3)(CC(COC4=CC=C(C=C4)C#N)O)[O-]

Isomeric SMILES

C1CCC(C1)OC(=O)N2CC3CC(C2)C[N+](C3)(CC(COC4=CC=C(C=C4)C#N)O)[O-]

InChI

InChI=1S/C23H31N3O5/c24-10-17-5-7-21(8-6-17)30-16-20(27)15-26(29)13-18-9-19(14-26)12-25(11-18)23(28)31-22-3-1-2-4-22/h5-8,18-20,22,27H,1-4,9,11-16H2