2-[2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-4-yl]ethylazanium

Systemtic Name: 2-[2-[2-oxidanylidene-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-4-yl]ethylazanium Openeye Name: 2-[2-[2-oxo-2-(4-pyridylmethylamino)ethyl]thiazol-4-yl]ethylammonium CAS Name: 2-[2-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-4-thiazolyl]ethylammonium IUPAC Name: 2-[2-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]-1,3-thiazol-4-yl]ethylazanium Traditional Name: 2-[2-[2-keto-2-(4-pyridylmethylamino)ethyl]thiazol-4-yl]ethylammonium Formula: C13H17N4OS+ MolecularWeight: 277.36528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=CC=C1CNC(=O)CC2=NC(=CS2)CC[NH3+]

Isomeric SMILES

C1=CN=CC=C1CNC(=O)CC2=NC(=CS2)CC[NH3+]

InChI

InChI=1S/C13H16N4OS/c14-4-1-11-9-19-13(17-11)7-12(18)16-8-10-2-5-15-6-3-10/h2-3,5-6,9H,1,4,7-8,14H2,(H,16,18)/p+1