[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-phenylpropanoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-phenylpropanoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] 3-phenylpropanoate CAS Name: 3-phenylpropanoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] 3-phenylpropanoate Traditional Name: 3-phenylpropionic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)CCC2=CC=CC=C2

Isomeric SMILES

C[C@H](C[NH+]1CCCCC1)OC(=O)CCC2=CC=CC=C2

InChI

InChI=1S/C17H25NO2/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16/h2,4-5,8-9,15H,3,6-7,10-14H2,1H3/p+1/t15-/m1/s1