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

Systemtic Name: tert-butyl (3S)-3-butylpiperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-butylpiperazin-4-ium-1-carboxylate CAS Name: (3S)-3-butyl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-butylpiperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-butylpiperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C13H27N2O2+ MolecularWeight: 243.36568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CN(CC[NH2+]1)C(=O)OC(C)(C)C

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O2/c1-5-6-7-11-10-15(9-8-14-11)12(16)17-13(2,3)4/h11,14H,5-10H2,1-4H3/p+1/t11-/m0/s1