ethyl (3S)-1-ethyl-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-ethyl-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-ethyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-ethyl-3-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-ethyl-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-ethyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C19H28NO2+ MolecularWeight: 302.43112

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCCC(C1)(CC=CC2=CC=CC=C2)C(=O)OCC

Isomeric SMILES

CC[NH+]1CCC[C@@](C1)(C/C=C/C2=CC=CC=C2)C(=O)OCC

InChI

InChI=1S/C19H27NO2/c1-3-20-15-9-14-19(16-20,18(21)22-4-2)13-8-12-17-10-6-5-7-11-17/h5-8,10-12H,3-4,9,13-16H2,1-2H3/p+1/b12-8+/t19-/m1/s1