ethyl 4-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[(2R)-1-(tert-butylamino)-1-oxidanylidene-propan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[(1R)-2-(tert-butylamino)-1-methyl-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2R)-1-(tert-butylamino)-1-oxopropan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1R)-2-(tert-butylamino)-2-keto-1-methyl-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C14H28N3O3+ MolecularWeight: 286.39042

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CC[NH+](CC1)C(C)C(=O)NC(C)(C)C

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)[C@H](C)C(=O)NC(C)(C)C

InChI

InChI=1S/C14H27N3O3/c1-6-20-13(19)17-9-7-16(8-10-17)11(2)12(18)15-14(3,4)5/h11H,6-10H2,1-5H3,(H,15,18)/p+1/t11-/m1/s1