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

Systemtic Name: 1-[(2S)-1-(3,4-dichlorophenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(1S)-2-(3,4-dichlorophenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(2S)-1-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(2S)-1-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperidin-1-ium-4-carboxylate Traditional Name: 1-[(1S)-2-(3,4-dichlorophenyl)-2-keto-1-methyl-ethyl]piperidin-1-ium-4-carboxylate Formula: C15H17Cl2NO3 MolecularWeight: 330.20638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C=C1)Cl)Cl)[NH+]2CCC(CC2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17Cl2NO3/c1-9(18-6-4-10(5-7-18)15(20)21)14(19)11-2-3-12(16)13(17)8-11/h2-3,8-10H,4-7H2,1H3,(H,20,21)/t9-/m0/s1