2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate bromide

Systemtic Name: 2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethyl 4-azanyl-5-chloranyl-2-methoxy-benzoate bromide Openeye Name: 2-quinuclidin-1-ium-1-ylethyl 4-amino-5-chloro-2-methoxy-benzoate bromide CAS Name: 4-amino-5-chloro-2-methoxybenzoic acid 2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethyl ester bromide IUPAC Name: 2-(1-azoniabicyclo[2.2.2]octan-1-yl)ethyl 4-amino-5-chloro-2-methoxybenzoate bromide Traditional Name: 4-amino-5-chloro-2-methoxy-benzoic acid 2-quinuclidin-1-ium-1-ylethyl ester bromide Formula: C17H24BrClN2O3 MolecularWeight: 419.74106

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(=O)OCC[N+]23CCC(CC2)CC3)Cl)N.[Br-]

Isomeric SMILES

COC1=CC(=C(C=C1C(=O)OCC[N+]23CCC(CC2)CC3)Cl)N.[Br-]

InChI

InChI=1S/C17H23ClN2O3.BrH/c1-22-16-11-15(19)14(18)10-13(16)17(21)23-9-8-20-5-2-12(3-6-20)4-7-20;/h10-12H,2-9H2,1H3,(H-,19,21);1H