ethyl 4-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-(2-thiophen-2-ylethylamino)ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[2-(2-thienyl)ethylamino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[2-(2-thienyl)ethylamino]ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H24N3O3S+ MolecularWeight: 326.43436

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCC2=CC=CS2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)NCCC2=CC=CS2

InChI

InChI=1S/C15H23N3O3S/c1-2-21-15(20)18-9-7-17(8-10-18)12-14(19)16-6-5-13-4-3-11-22-13/h3-4,11H,2,5-10,12H2,1H3,(H,16,19)/p+1