ethyl (3R)-3-phenethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-3-phenethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-3-phenethyl-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-3-phenethyl-1-(2-thiazolylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-3-phenethyl-1-(1,3-thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-3-phenethyl-1-(thiazol-2-ylmethyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C20H27N2O2S+ MolecularWeight: 359.50558

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCC[NH+](C1)CC2=NC=CS2)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCC[NH+](C1)CC2=NC=CS2)CCC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O2S/c1-2-24-19(23)20(11-9-17-7-4-3-5-8-17)10-6-13-22(16-20)15-18-21-12-14-25-18/h3-5,7-8,12,14H,2,6,9-11,13,15-16H2,1H3/p+1/t20-/m0/s1