[(2R)-2-(5-chloranyl-2-oxidanyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(5-chloranyl-2-oxidanyl-phenyl)-2-piperidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(5-chloro-2-hydroxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(5-chloro-2-hydroxyphenyl)-2-(1-piperidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(5-chloro-2-hydroxyphenyl)-2-piperidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(5-chloro-2-hydroxy-phenyl)-2-piperidin-1-ium-1-yl-ethyl]ammonium Formula: C13H21ClN2O+2 MolecularWeight: 256.77164

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C[NH3+])C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C[NH3+])C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C13H19ClN2O/c14-10-4-5-13(17)11(8-10)12(9-15)16-6-2-1-3-7-16/h4-5,8,12,17H,1-3,6-7,9,15H2/p+2/t12-/m0/s1