[(1S,5R)-8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate

Systemtic Name: [(1S,5R)-8-methyl-8-oxidanidyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate Openeye Name: [(1S,5R)-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate CAS Name: 2-phenyl-2-propenoic acid [(1S,5R)-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1S,5R)-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylprop-2-enoate Traditional Name: 2-phenylacrylic acid [(1S,5R)-8-methyl-8-oxido-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C17H21NO3 MolecularWeight: 287.35354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO3/c1-12(13-6-4-3-5-7-13)17(19)21-16-10-14-8-9-15(11-16)18(14,2)20/h3-7,14-16H,1,8-11H2,2H3/t14-,15+,16?,18?