tert-butyl (3S)-3-propylpiperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-propylpiperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-propylpiperazin-4-ium-1-carboxylate CAS Name: (3S)-3-propyl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-propylpiperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-propylpiperazin-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:

CCCC1CN(CC[NH2+]1)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C12H24N2O2/c1-5-6-10-9-14(8-7-13-10)11(15)16-12(2,3)4/h10,13H,5-9H2,1-4H3/p+1/t10-/m0/s1