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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 4-tert-butylbenzoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 4-tert-butylbenzoate CAS Name: 4-tert-butylbenzoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 4-tert-butylbenzoate Traditional Name: 4-tert-butylbenzoic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C19H30NO2+ MolecularWeight: 304.447

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)C2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C19H29NO2/c1-15(14-20-12-6-5-7-13-20)22-18(21)16-8-10-17(11-9-16)19(2,3)4/h8-11,15H,5-7,12-14H2,1-4H3/p+1/t15-/m1/s1