[(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-tert-butylbenzoate

Systemtic Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-tert-butylbenzoate Openeye Name: [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2R)-1-(1-pyrrolidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-pyrrolidin-1-ium-1-ylpropan-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(1R)-1-methyl-2-pyrrolidin-1-ium-1-yl-ethyl] ester Formula: C18H28NO2+ MolecularWeight: 290.42042

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO2/c1-14(13-19-11-5-6-12-19)21-17(20)15-7-9-16(10-8-15)18(2,3)4/h7-10,14H,5-6,11-13H2,1-4H3/p+1/t14-/m1/s1