2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-6-bromanyl-4-chloranyl-phenolate

Systemtic Name: 2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-6-bromanyl-4-chloranyl-phenolate Openeye Name: 2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-6-bromo-4-chloro-phenolate CAS Name: 2-[(1R)-2-ammonio-1-(1-pyrrolidin-1-iumyl)ethyl]-6-bromo-4-chlorophenolate IUPAC Name: 2-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-ylethyl]-6-bromo-4-chlorophenolate Traditional Name: 2-[(1R)-2-ammonio-1-pyrrolidin-1-ium-1-yl-ethyl]-6-bromo-4-chloro-phenolate Formula: C12H17BrClN2O+ MolecularWeight: 320.63318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16BrClN2O/c13-10-6-8(14)5-9(12(10)17)11(7-15)16-3-1-2-4-16/h5-6,11,17H,1-4,7,15H2/p+1/t11-/m0/s1