[(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] (E)-3-phenylprop-2-enoate

Systemtic Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] (E)-3-phenylprop-2-enoate Openeye Name: [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] (E)-3-phenylprop-2-enoate CAS Name: (E)-3-phenyl-2-propenoic acid [(2R)-1-(1-piperidin-1-iumyl)propan-2-yl] ester IUPAC Name: [(2R)-1-piperidin-1-ium-1-ylpropan-2-yl] (E)-3-phenylprop-2-enoate Traditional Name: (E)-3-phenylacrylic acid [(1R)-1-methyl-2-piperidin-1-ium-1-yl-ethyl] ester Formula: C17H24NO2+ MolecularWeight: 274.37796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCCCC1)OC(=O)C=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO2/c1-15(14-18-12-6-3-7-13-18)20-17(19)11-10-16-8-4-2-5-9-16/h2,4-5,8-11,15H,3,6-7,12-14H2,1H3/p+1/b11-10+/t15-/m1/s1