(3S)-1-[[2,6-bis(chloranyl)phenyl]methyl]piperidin-1-ium-3-carboxylate

Systemtic Name: (3S)-1-[[2,6-bis(chloranyl)phenyl]methyl]piperidin-1-ium-3-carboxylate Openeye Name: (3S)-1-[(2,6-dichlorophenyl)methyl]piperidin-1-ium-3-carboxylate CAS Name: (3S)-1-[(2,6-dichlorophenyl)methyl]-3-piperidin-1-iumcarboxylate IUPAC Name: (3S)-1-[(2,6-dichlorophenyl)methyl]piperidin-1-ium-3-carboxylate Traditional Name: (3S)-1-(2,6-dichlorobenzyl)piperidin-1-ium-3-carboxylate Formula: C13H15Cl2NO2 MolecularWeight: 288.1697

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH+](C1)CC2=C(C=CC=C2Cl)Cl)C(=O)[O-]

Isomeric SMILES

C1C[C@@H](C[NH+](C1)CC2=C(C=CC=C2Cl)Cl)C(=O)[O-]

InChI

InChI=1S/C13H15Cl2NO2/c14-11-4-1-5-12(15)10(11)8-16-6-2-3-9(7-16)13(17)18/h1,4-5,9H,2-3,6-8H2,(H,17,18)/t9-/m0/s1