1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate

Systemtic Name: 1-[(5-chloranyl-2-oxidanyl-phenyl)methyl]piperidin-1-ium-4-carboxylate Openeye Name: 1-[(5-chloro-2-hydroxy-phenyl)methyl]piperidin-1-ium-4-carboxylate CAS Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]-4-piperidin-1-iumcarboxylate IUPAC Name: 1-[(5-chloro-2-hydroxyphenyl)methyl]piperidin-1-ium-4-carboxylate Traditional Name: 1-(5-chloro-2-hydroxy-benzyl)piperidin-1-ium-4-carboxylate Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1C(=O)[O-])CC2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1C[NH+](CCC1C(=O)[O-])CC2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H16ClNO3/c14-11-1-2-12(16)10(7-11)8-15-5-3-9(4-6-15)13(17)18/h1-2,7,9,16H,3-6,8H2,(H,17,18)