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

Systemtic Name: ethyl (3S)-1-methyl-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-methyl-piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-methyl-3-[(E)-3-phenylprop-2-enyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-methyl-3-[(E)-3-phenylprop-2-enyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-methyl-piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C18H26NO2+ MolecularWeight: 288.40454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)C)CC=CC2=CC=CC=C2

Isomeric SMILES

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

InChI

InChI=1S/C18H25NO2/c1-3-21-17(20)18(13-8-14-19(2)15-18)12-7-11-16-9-5-4-6-10-16/h4-7,9-11H,3,8,12-15H2,1-2H3/p+1/b11-7+/t18-/m1/s1