tert-butyl (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carboxylate

Systemtic Name: tert-butyl (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carboxylate Openeye Name: tert-butyl (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carboxylate CAS Name: (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]-2-azetidin-1-iumcarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carboxylate Traditional Name: (1S,2S)-1-methyl-1-[(1S)-1-phenylethyl]azetidin-1-ium-2-carboxylic acid tert-butyl ester Formula: C17H26NO2+ MolecularWeight: 276.39384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)[N+]2(CCC2C(=O)OC(C)(C)C)C

Isomeric SMILES

C[C@@H](C1=CC=CC=C1)[N@@+]2(CC[C@H]2C(=O)OC(C)(C)C)C

InChI

InChI=1S/C17H26NO2/c1-13(14-9-7-6-8-10-14)18(5)12-11-15(18)16(19)20-17(2,3)4/h6-10,13,15H,11-12H2,1-5H3/q+1/t13-,15-,18-/m0/s1