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

Systemtic Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-3-[(E)-cinnamyl]-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(3-pyridinylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-[(E)-3-phenylprop-2-enyl]-1-(pyridin-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3S)-3-[(E)-cinnamyl]-1-(3-pyridylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C23H29N2O2+ MolecularWeight: 365.48856

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=CN=CC=C2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=CN=CC=C2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C23H28N2O2/c1-2-27-22(26)23(13-6-11-20-9-4-3-5-10-20)14-8-16-25(19-23)18-21-12-7-15-24-17-21/h3-7,9-12,15,17H,2,8,13-14,16,18-19H2,1H3/p+1/b11-6+/t23-/m1/s1