ethyl (3R)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3R)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3R)-1-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3R)-1-[(2-sulfanylidene-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(2-thioxo-1,3-benzoxazol-3-yl)methyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C16H21N2O3S+ MolecularWeight: 321.41454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CN2C3=CC=CC=C3OC2=S

Isomeric SMILES

CCOC(=O)[C@@H]1CCC[NH+](C1)CN2C3=CC=CC=C3OC2=S

InChI

InChI=1S/C16H20N2O3S/c1-2-20-15(19)12-6-5-9-17(10-12)11-18-13-7-3-4-8-14(13)21-16(18)22/h3-4,7-8,12H,2,5-6,9-11H2,1H3/p+1/t12-/m1/s1