[(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-phenylfuran-2-carboxylate

Systemtic Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-phenylfuran-2-carboxylate Openeye Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-phenylfuran-2-carboxylate CAS Name: 5-phenyl-2-furancarboxylic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-phenylfuran-2-carboxylate Traditional Name: 5-phenylfuran-2-carboxylic acid [(1R,5S)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C19H22NO3+ MolecularWeight: 312.38288

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C2CCC1CC(C2)OC(=O)C3=CC=C(O3)C4=CC=CC=C4

Isomeric SMILES

C[NH+]1[C@@H]2CC[C@H]1CC(C2)OC(=O)C3=CC=C(O3)C4=CC=CC=C4

InChI

InChI=1S/C19H21NO3/c1-20-14-7-8-15(20)12-16(11-14)22-19(21)18-10-9-17(23-18)13-5-3-2-4-6-13/h2-6,9-10,14-16H,7-8,11-12H2,1H3/p+1/t14-,15+,16?