(3R)-1-[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3R)-1-[(2S)-1-(4-tert-butylphenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-2-(4-tert-butylphenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2S)-1-(4-tert-butylphenyl)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-(4-tert-butylphenyl)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylate Formula: C19H27NO3 MolecularWeight: 317.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)C(C)(C)C)[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC=C(C=C1)C(C)(C)C)[NH+]2CCC[C@H](C2)C(=O)[O-]

InChI

InChI=1S/C19H27NO3/c1-13(20-11-5-6-15(12-20)18(22)23)17(21)14-7-9-16(10-8-14)19(2,3)4/h7-10,13,15H,5-6,11-12H2,1-4H3,(H,22,23)/t13-,15+/m0/s1