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

Systemtic Name: tert-butyl (2S,5R)-5-methyl-2-propan-2-yl-piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (2S,5R)-2-isopropyl-5-methyl-piperazin-4-ium-1-carboxylate CAS Name: (2S,5R)-5-methyl-2-propan-2-yl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5R)-5-methyl-2-propan-2-ylpiperazin-4-ium-1-carboxylate Traditional Name: (2S,5R)-2-isopropyl-5-methyl-piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C13H27N2O2+ MolecularWeight: 243.36568

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(C(C[NH2+]1)C(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O2/c1-9(2)11-7-14-10(3)8-15(11)12(16)17-13(4,5)6/h9-11,14H,7-8H2,1-6H3/p+1/t10-,11-/m1/s1