ethyl (2R)-1-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-2-carboxylate

Systemtic Name: ethyl (2R)-1-[[3,5-bis(chloranyl)-2-oxidanyl-phenyl]methyl]piperidin-1-ium-2-carboxylate Openeye Name: ethyl (2R)-1-[(3,5-dichloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-2-carboxylate CAS Name: (2R)-1-[(3,5-dichloro-2-hydroxyphenyl)methyl]-2-piperidin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl (2R)-1-[(3,5-dichloro-2-hydroxyphenyl)methyl]piperidin-1-ium-2-carboxylate Traditional Name: (2R)-1-(3,5-dichloro-2-hydroxy-benzyl)piperidin-1-ium-2-carboxylic acid ethyl ester Formula: C15H20Cl2NO3+ MolecularWeight: 333.2302

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCC[NH+]1CC2=CC(=CC(=C2O)Cl)Cl

Isomeric SMILES

CCOC(=O)[C@H]1CCCC[NH+]1CC2=CC(=CC(=C2O)Cl)Cl

InChI

InChI=1S/C15H19Cl2NO3/c1-2-21-15(20)13-5-3-4-6-18(13)9-10-7-11(16)8-12(17)14(10)19/h7-8,13,19H,2-6,9H2,1H3/p+1/t13-/m1/s1