ethyl (3R)-3-[(E)-3-phenylprop-2-enyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-[(E)-3-phenylprop-2-enyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-[(E)-cinnamyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-[(E)-3-phenylprop-2-enyl]-1-(2-thiazolylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-[(E)-3-phenylprop-2-enyl]-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-[(E)-cinnamyl]-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C21H27N2O2S+ MolecularWeight: 371.51628

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=NC=CS2)CC=CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@]1(CCC[NH+](C1)CC2=NC=CS2)C/C=C/C3=CC=CC=C3

InChI

InChI=1S/C21H26N2O2S/c1-2-25-20(24)21(11-6-10-18-8-4-3-5-9-18)12-7-14-23(17-21)16-19-22-13-15-26-19/h3-6,8-10,13,15H,2,7,11-12,14,16-17H2,1H3/p+1/b10-6+/t21-/m0/s1