tert-butyl (2S)-2-(2-methoxy-2-oxidanylidene-ethyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (2S)-2-(2-methoxy-2-oxidanylidene-ethyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (2S)-2-(2-methoxy-2-oxo-ethyl)piperazin-4-ium-1-carboxylate CAS Name: (2S)-2-(2-methoxy-2-oxoethyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-(2-methoxy-2-oxoethyl)piperazin-4-ium-1-carboxylate Traditional Name: (2S)-2-(2-keto-2-methoxy-ethyl)piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C12H23N2O4+ MolecularWeight: 259.32202

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC[NH2+]CC1CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CC[NH2+]C[C@@H]1CC(=O)OC

InChI

InChI=1S/C12H22N2O4/c1-12(2,3)18-11(16)14-6-5-13-8-9(14)7-10(15)17-4/h9,13H,5-8H2,1-4H3/p+1/t9-/m0/s1