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

Systemtic Name: (3R)-1-[(2S)-1-(3,4-dichlorophenyl)-1-oxidanylidene-propan-2-yl]piperidin-1-ium-3-carboxylate Openeye Name: (3R)-1-[(1S)-2-(3,4-dichlorophenyl)-1-methyl-2-oxo-ethyl]piperidin-1-ium-3-carboxylate CAS Name: (3R)-1-[(2S)-1-(3,4-dichlorophenyl)-1-oxopropan-2-yl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3R)-1-[(2S)-1-(3,4-dichlorophenyl)-1-oxopropan-2-yl]piperidin-1-ium-3-carboxylate Traditional Name: (3R)-1-[(1S)-2-(3,4-dichlorophenyl)-2-keto-1-methyl-ethyl]piperidin-1-ium-3-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+]2CCCC(C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H17Cl2NO3/c1-9(18-6-2-3-11(8-18)15(20)21)14(19)10-4-5-12(16)13(17)7-10/h4-5,7,9,11H,2-3,6,8H2,1H3,(H,20,21)/t9-,11+/m0/s1