ethyl 4-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate

Systemtic Name: ethyl 4-[2-[[(2S)-2-cyano-3-methyl-butan-2-yl]amino]-2-oxidanylidene-ethyl]piperazin-4-ium-1-carboxylate Openeye Name: ethyl 4-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]-1-piperazin-4-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-keto-ethyl]piperazin-4-ium-1-carboxylic acid ethyl ester Formula: C15H27N4O3+ MolecularWeight: 311.39988

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)N1CC[NH+](CC1)CC(=O)N[C@](C)(C#N)C(C)C

InChI

InChI=1S/C15H26N4O3/c1-5-22-14(21)19-8-6-18(7-9-19)10-13(20)17-15(4,11-16)12(2)3/h12H,5-10H2,1-4H3,(H,17,20)/p+1/t15-/m1/s1