tert-butyl 4-[(2S)-1-methoxy-1-oxidanylidene-butan-2-yl]piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl 4-[(2S)-1-methoxy-1-oxidanylidene-butan-2-yl]piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl 4-[(1S)-1-methoxycarbonylpropyl]piperazin-4-ium-1-carboxylate CAS Name: 4-[(2S)-1-methoxy-1-oxobutan-2-yl]-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[(2S)-1-methoxy-1-oxobutan-2-yl]piperazin-4-ium-1-carboxylate Traditional Name: 4-[(1S)-1-carbomethoxypropyl]piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C14H27N2O4+ MolecularWeight: 287.37518

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OC)[NH+]1CCN(CC1)C(=O)OC(C)(C)C

Isomeric SMILES

CC[C@@H](C(=O)OC)[NH+]1CCN(CC1)C(=O)OC(C)(C)C

InChI

InChI=1S/C14H26N2O4/c1-6-11(12(17)19-5)15-7-9-16(10-8-15)13(18)20-14(2,3)4/h11H,6-10H2,1-5H3/p+1/t11-/m0/s1