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

Systemtic Name: (3R)-1-[(2S)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2S)-1-(4-bromophenyl)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylate Formula: C15H18BrNO3 MolecularWeight: 340.21232

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18BrNO3/c1-10(14(18)11-4-6-13(16)7-5-11)17-8-2-3-12(9-17)15(19)20/h4-7,10,12H,2-3,8-9H2,1H3,(H,19,20)/t10-,12+/m0/s1