ethyl 4-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-(thiazol-2-ylamino)ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(2-thiazolylamino)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(1,3-thiazol-2-ylamino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-(thiazol-2-ylamino)ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C12H19N4O3S+ MolecularWeight: 299.36926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC=CS2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NC2=NC=CS2

InChI

InChI=1S/C12H18N4O3S/c1-2-19-12(18)16-6-4-15(5-7-16)9-10(17)14-11-13-3-8-20-11/h3,8H,2,4-7,9H2,1H3,(H,13,14,17)/p+1