methyl (2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: methyl (2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-2-carboxylate Openeye Name: methyl (2R)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(5-methyl-2-thiophen-2-yl-4-oxazolyl)methyl]-2-piperidin-1-iumcarboxylic acid methyl ester IUPAC Name: methyl (2R)-1-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-[[5-methyl-2-(2-thienyl)oxazol-4-yl]methyl]piperidin-1-ium-2-carboxylic acid methyl ester Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCCCC3C(=O)OC

Isomeric SMILES

CC1=C(N=C(O1)C2=CC=CS2)C[NH+]3CCCC[C@@H]3C(=O)OC

InChI

InChI=1S/C16H20N2O3S/c1-11-12(17-15(21-11)14-7-5-9-22-14)10-18-8-4-3-6-13(18)16(19)20-2/h5,7,9,13H,3-4,6,8,10H2,1-2H3/p+1/t13-/m1/s1