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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperidin-1-ium-3-carboxylate Openeye Name: (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-iumcarboxylate IUPAC Name: (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-carboxylate Formula: C11H15N3O3S MolecularWeight: 269.3201

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=NC=CS2)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=NC=CS2)C(=O)[O-]

InChI

InChI=1S/C11H15N3O3S/c15-9(13-11-12-3-5-18-11)7-14-4-1-2-8(6-14)10(16)17/h3,5,8H,1-2,4,6-7H2,(H,16,17)(H,12,13,15)/t8-/m0/s1