tert-butyl 1-but-1-ynylpiperazin-1-ium-1-carboxylate

Systemtic Name: tert-butyl 1-but-1-ynylpiperazin-1-ium-1-carboxylate Openeye Name: tert-butyl 1-but-1-ynylpiperazin-1-ium-1-carboxylate CAS Name: 1-but-1-ynyl-1-piperazin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-but-1-ynylpiperazin-1-ium-1-carboxylate Traditional Name: 1-but-1-ynylpiperazin-1-ium-1-carboxylic acid tert-butyl ester Formula: C13H23N2O2+ MolecularWeight: 239.33392

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Descriptors Computed from Structure

Canonical SMILES:

CCC#C[N+]1(CCNCC1)C(=O)OC(C)(C)C

Isomeric SMILES

CCC#C[N+]1(CCNCC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C13H23N2O2/c1-5-6-9-15(10-7-14-8-11-15)12(16)17-13(2,3)4/h14H,5,7-8,10-11H2,1-4H3/q+1