[(1R,5S)-8-methyl-8-prop-2-ynyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: [(1R,5S)-8-methyl-8-prop-2-ynyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: [(1R,5S)-8-methyl-8-prop-2-ynyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid [(1R,5S)-8-methyl-8-prop-2-ynyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8-methyl-8-prop-2-ynyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid [(1R,5S)-8-methyl-8-propargyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C20H26NO3+ MolecularWeight: 328.42534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26NO3/c1-3-11-21(2)16-9-10-17(21)13-18(12-16)24-20(23)19(14-22)15-7-5-4-6-8-15/h1,4-8,16-19,22H,9-14H2,2H3/q+1/t16-,17+,18?,19?,21?