tert-butyl (2S,5R)-2-ethyl-5-methyl-piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (2S,5R)-2-ethyl-5-methyl-piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (2S,5R)-2-ethyl-5-methyl-piperazin-4-ium-1-carboxylate CAS Name: (2S,5R)-2-ethyl-5-methyl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-2-ethyl-5-methylpiperazin-4-ium-1-carboxylate Traditional Name: (2S,5R)-2-ethyl-5-methyl-piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C12H25N2O2+ MolecularWeight: 229.3391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1C[NH2+]C(CN1C(=O)OC(C)(C)C)C

Isomeric SMILES

CC[C@H]1C[NH2+][C@@H](CN1C(=O)OC(C)(C)C)C

InChI

InChI=1S/C12H24N2O2/c1-6-10-7-13-9(2)8-14(10)11(15)16-12(3,4)5/h9-10,13H,6-8H2,1-5H3/p+1/t9-,10+/m1/s1