ethyl (3S)-1-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-1-ium-3-carboxylate

Systemtic Name: ethyl (3S)-1-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: ethyl (3S)-1-[2-oxo-2-(thiazol-2-ylamino)ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[2-oxo-2-(2-thiazolylamino)ethyl]-3-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-[2-keto-2-(thiazol-2-ylamino)ethyl]piperidin-1-ium-3-carboxylic acid ethyl ester Formula: C13H20N3O3S+ MolecularWeight: 298.3812

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCC[NH+](C1)CC(=O)NC2=NC=CS2

Isomeric SMILES

CCOC(=O)[C@H]1CCC[NH+](C1)CC(=O)NC2=NC=CS2

InChI

InChI=1S/C13H19N3O3S/c1-2-19-12(18)10-4-3-6-16(8-10)9-11(17)15-13-14-5-7-20-13/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,15,17)/p+1/t10-/m0/s1