tert-butyl (2S,5S)-2-methyl-5-phenyl-piperazin-4-ium-1-carboxylate

Systemtic Name: tert-butyl (2S,5S)-2-methyl-5-phenyl-piperazin-4-ium-1-carboxylate Openeye Name: tert-butyl (2S,5S)-2-methyl-5-phenyl-piperazin-4-ium-1-carboxylate CAS Name: (2S,5S)-2-methyl-5-phenyl-1-piperazin-4-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S,5S)-2-methyl-5-phenylpiperazin-4-ium-1-carboxylate Traditional Name: (2S,5S)-2-methyl-5-phenyl-piperazin-4-ium-1-carboxylic acid tert-butyl ester Formula: C16H25N2O2+ MolecularWeight: 277.3819

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Descriptors Computed from Structure

Canonical SMILES:

CC1C[NH2+]C(CN1C(=O)OC(C)(C)C)C2=CC=CC=C2

Isomeric SMILES

C[C@H]1C[NH2+][C@H](CN1C(=O)OC(C)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C16H24N2O2/c1-12-10-17-14(13-8-6-5-7-9-13)11-18(12)15(19)20-16(2,3)4/h5-9,12,14,17H,10-11H2,1-4H3/p+1/t12-,14+/m0/s1