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

Systemtic Name: [(2R)-2-(5-chloranyl-2-oxidanyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(5-chloro-2-hydroxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(5-chloro-2-hydroxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(5-chloro-2-hydroxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(5-chloro-2-hydroxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C12H19ClN2O+2 MolecularWeight: 242.74506

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)C(C[NH3+])C2=C(C=CC(=C2)Cl)O

Isomeric SMILES

C1CC[NH+](C1)[C@@H](C[NH3+])C2=C(C=CC(=C2)Cl)O

InChI

InChI=1S/C12H17ClN2O/c13-9-3-4-12(16)10(7-9)11(8-14)15-5-1-2-6-15/h3-4,7,11,16H,1-2,5-6,8,14H2/p+2/t11-/m0/s1