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

Systemtic Name: (3R)-1-[(2S)-1-(4-methoxyphenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-2-(4-methoxyphenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-keto-2-(4-methoxyphenyl)-1-methyl-ethyl]piperidin-1-ium-3-carboxylate Formula: C16H21NO4 MolecularWeight: 291.34224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO4/c1-11(17-9-3-4-13(10-17)16(19)20)15(18)12-5-7-14(21-2)8-6-12/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,19,20)/t11-,13+/m0/s1