ethyl (3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-(3-thienylmethyl)piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-(3-thiophenylmethyl)-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-(thiophen-3-ylmethyl)piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-(3-thenyl)piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C13H20NO2S+ MolecularWeight: 254.3684

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC2=CSC=C2

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CC2=CSC=C2

InChI

InChI=1S/C13H19NO2S/c1-2-16-13(15)12-4-3-6-14(9-12)8-11-5-7-17-10-11/h5,7,10,12H,2-4,6,8-9H2,1H3/p+1/t12-/m1/s1