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

Systemtic Name: (3R)-1-[(2S)-1-(3,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2S)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2S)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-(3,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-carboxylate Formula: C17H23NO5 MolecularWeight: 321.36822

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO5/c1-11(18-8-4-5-13(10-18)17(20)21)16(19)12-6-7-14(22-2)15(9-12)23-3/h6-7,9,11,13H,4-5,8,10H2,1-3H3,(H,20,21)/t11-,13+/m0/s1