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

Systemtic Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-2-bromanyl-6-methoxy-phenolate Openeye Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-yl-ethyl]-2-bromo-6-methoxy-phenolate CAS Name: 4-[(1R)-2-ammonio-1-(1-pyrrolidin-1-iumyl)ethyl]-2-bromo-6-methoxyphenolate IUPAC Name: 4-[(1R)-2-azaniumyl-1-pyrrolidin-1-ium-1-ylethyl]-2-bromo-6-methoxyphenolate Traditional Name: 4-[(1R)-2-ammonio-1-pyrrolidin-1-ium-1-yl-ethyl]-2-bromo-6-methoxy-phenolate Formula: C13H20BrN2O2+ MolecularWeight: 316.2141

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19BrN2O2/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+1/t11-/m0/s1