tert-butyl (3S)-3-(2-methylpropyl)piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (3S)-3-(2-methylpropyl)piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (3S)-3-isobutylpiperazin-4-ium-1-carboxylate CAS Name: (3S)-3-(2-methylpropyl)-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (3S)-3-(2-methylpropyl)piperazin-4-ium-1-carboxylate Traditional Name: (3S)-3-isobutylpiperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C13H27N2O2+ MolecularWeight: 243.36568

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H26N2O2/c1-10(2)8-11-9-15(7-6-14-11)12(16)17-13(3,4)5/h10-11,14H,6-9H2,1-5H3/p+1/t11-/m0/s1