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

Systemtic Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-2-(3,4-dimethoxyphenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2S)-1-(3,4-dimethoxyphenyl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-(3,4-dimethoxyphenyl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-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+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)C1=CC(=C(C=C1)OC)OC)[NH+]2CCC(CC2)C(=O)[O-]

InChI

InChI=1S/C17H23NO5/c1-11(18-8-6-12(7-9-18)17(20)21)16(19)13-4-5-14(22-2)15(10-13)23-3/h4-5,10-12H,6-9H2,1-3H3,(H,20,21)/t11-/m0/s1