[(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3,5-ditert-butylbenzoate

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3,5-ditert-butylbenzoate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 3,5-ditert-butylbenzoate CAS Name: 3,5-ditert-butylbenzoic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 3,5-ditert-butylbenzoate Traditional Name: 3,5-ditert-butylbenzoic acid [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C22H36NO2+ MolecularWeight: 346.52674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCC1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

Isomeric SMILES

C[C@H](C[NH+]1CCCC1)OC(=O)C2=CC(=CC(=C2)C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C22H35NO2/c1-16(15-23-10-8-9-11-23)25-20(24)17-12-18(21(2,3)4)14-19(13-17)22(5,6)7/h12-14,16H,8-11,15H2,1-7H3/p+1/t16-/m1/s1