tert-butyl N-[(2S)-piperazin-1-ium-2-yl]carbamate; (2S)-2-oxidanyl-2-phenyl-ethanoate

Systemtic Name: tert-butyl N-[(2S)-piperazin-1-ium-2-yl]carbamate; (2S)-2-oxidanyl-2-phenyl-ethanoate Openeye Name: tert-butyl N-[(2S)-piperazin-1-ium-2-yl]carbamate; (2S)-2-hydroxy-2-phenyl-acetate CAS Name: (2S)-2-hydroxy-2-phenylacetate; N-[(2S)-2-piperazin-1-iumyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-piperazin-1-ium-2-yl]carbamate; (2S)-2-hydroxy-2-phenylacetate Traditional Name: (2S)-2-hydroxy-2-phenyl-acetate; N-[(2S)-piperazin-1-ium-2-yl]carbamic acid tert-butyl ester Formula: C17H27N3O5 MolecularWeight: 353.41338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CNCC[NH2+]1.C1=CC=C(C=C1)C(C(=O)[O-])O

Isomeric SMILES

CC(C)(C)OC(=O)N[C@@H]1CNCC[NH2+]1.C1=CC=C(C=C1)[C@@H](C(=O)[O-])O

InChI

InChI=1S/C9H19N3O2.C8H8O3/c1-9(2,3)14-8(13)12-7-6-10-4-5-11-7;9-7(8(10)11)6-4-2-1-3-5-6/h7,10-11H,4-6H2,1-3H3,(H,12,13);1-5,7,9H,(H,10,11)/t2*7-/m10/s1