ethyl 4-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-oxidanylidene-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-oxo-2-[[(1R)-1-(2-thienyl)ethyl]amino]ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-oxo-2-[[(1R)-1-thiophen-2-ylethyl]amino]ethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-keto-2-[[(1R)-1-(2-thienyl)ethyl]amino]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)NC(C)C2=CC=CS2

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N[C@H](C)C2=CC=CS2

InChI

InChI=1S/C15H23N3O3S/c1-3-21-15(20)18-8-6-17(7-9-18)11-14(19)16-12(2)13-5-4-10-22-13/h4-5,10,12H,3,6-9,11H2,1-2H3,(H,16,19)/p+1/t12-/m1/s1