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

Systemtic Name: (3R)-1-[(2S)-1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2S)-1-(4-ethylphenyl)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-(4-ethylphenyl)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylate Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)[NH+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)[C@H](C)[NH+]2CCC[C@H](C2)C(=O)[O-]

InChI

InChI=1S/C17H23NO3/c1-3-13-6-8-14(9-7-13)16(19)12(2)18-10-4-5-15(11-18)17(20)21/h6-9,12,15H,3-5,10-11H2,1-2H3,(H,20,21)/t12-,15+/m0/s1