[(2R)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium

Systemtic Name: [(2R)-2-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]azanium Openeye Name: [(2R)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium CAS Name: [(2R)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-(1-pyrrolidin-1-iumyl)ethyl]ammonium IUPAC Name: [(2R)-2-(3-chloro-4-hydroxy-5-methoxyphenyl)-2-pyrrolidin-1-ium-1-ylethyl]azanium Traditional Name: [(2R)-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-2-pyrrolidin-1-ium-1-yl-ethyl]ammonium Formula: C13H21ClN2O2+2 MolecularWeight: 272.77104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C(C[NH3+])[NH+]2CCCC2)Cl)O

Isomeric SMILES

COC1=C(C(=CC(=C1)[C@H](C[NH3+])[NH+]2CCCC2)Cl)O

InChI

InChI=1S/C13H19ClN2O2/c1-18-12-7-9(6-10(14)13(12)17)11(8-15)16-4-2-3-5-16/h6-7,11,17H,2-5,8,15H2,1H3/p+2/t11-/m0/s1