4-[[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]methyl]-2-bromanyl-6-methoxy-phenol

Systemtic Name: 4-[[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]methyl]-2-bromanyl-6-methoxy-phenol Openeye Name: 2-bromo-6-methoxy-4-[[[(3R)-quinuclidin-1-ium-3-yl]amino]methyl]phenol CAS Name: 4-[[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]methyl]-2-bromo-6-methoxyphenol IUPAC Name: 4-[[[(3R)-1-azoniabicyclo[2.2.2]octan-3-yl]amino]methyl]-2-bromo-6-methoxyphenol Traditional Name: 2-bromo-6-methoxy-4-[[[(3R)-quinuclidin-1-ium-3-yl]amino]methyl]phenol Formula: C15H22BrN2O2+ MolecularWeight: 342.25138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2C[NH+]3CCC2CC3)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)CN[C@H]2C[NH+]3CCC2CC3)Br)O

InChI

InChI=1S/C15H21BrN2O2/c1-20-14-7-10(6-12(16)15(14)19)8-17-13-9-18-4-2-11(13)3-5-18/h6-7,11,13,17,19H,2-5,8-9H2,1H3/p+1/t13-/m0/s1