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

Systemtic Name: (3S)-1-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Openeye Name: (3S)-1-[2-oxo-2-(thiazol-2-ylamino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide CAS Name: (3S)-1-[2-oxo-2-(2-thiazolylamino)ethyl]-N-phenyl-3-piperidin-1-iumcarboxamide IUPAC Name: (3S)-1-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]-N-phenylpiperidin-1-ium-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-(thiazol-2-ylamino)ethyl]-N-phenyl-piperidin-1-ium-3-carboxamide Formula: C17H21N4O2S+ MolecularWeight: 345.43924

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC(=O)NC2=NC=CS2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC(=O)NC2=NC=CS2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C17H20N4O2S/c22-15(20-17-18-8-10-24-17)12-21-9-4-5-13(11-21)16(23)19-14-6-2-1-3-7-14/h1-3,6-8,10,13H,4-5,9,11-12H2,(H,19,23)(H,18,20,22)/p+1/t13-/m0/s1