4-[[(1R,5S)-8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy-phenyl-methyl]phenol

Systemtic Name: 4-[[(1R,5S)-8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl]oxy-phenyl-methyl]phenol Openeye Name: 4-[[(1R,5S)-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl]oxy-phenyl-methyl]phenol CAS Name: 4-[[(1R,5S)-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]phenol IUPAC Name: 4-[[(1R,5S)-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl]oxy-phenylmethyl]phenol Traditional Name: 4-[[(1R,5S)-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl]oxy-phenyl-methyl]phenol Formula: C21H25NO3 MolecularWeight: 339.4281

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C2CCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)O)[O-]

Isomeric SMILES

C[N+]1([C@@H]2CC[C@H]1CC(C2)OC(C3=CC=CC=C3)C4=CC=C(C=C4)O)[O-]

InChI

InChI=1S/C21H25NO3/c1-22(24)17-9-10-18(22)14-20(13-17)25-21(15-5-3-2-4-6-15)16-7-11-19(23)12-8-16/h2-8,11-12,17-18,20-21,23H,9-10,13-14H2,1H3/t17-,18+,20?,21?,22?