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

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C20H32NO3+ MolecularWeight: 334.47298

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)COC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H31NO3/c1-16(14-21-12-6-5-7-13-21)24-19(22)15-23-18-10-8-17(9-11-18)20(2,3)4/h8-11,16H,5-7,12-15H2,1-4H3/p+1/t16-/m1/s1