[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-oxidanyl-4-phenyl-pentanoate

Systemtic Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-oxidanyl-4-phenyl-pentanoate Openeye Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-hydroxy-4-phenyl-pentanoate CAS Name: 5-hydroxy-4-phenylpentanoic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 5-hydroxy-4-phenylpentanoate Traditional Name: 5-hydroxy-4-phenyl-valeric acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C20H30NO3+ MolecularWeight: 332.4571

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H30NO3/c1-21(2)17-9-10-18(21)13-19(12-17)24-20(23)11-8-16(14-22)15-6-4-3-5-7-15/h3-7,16-19,22H,8-14H2,1-2H3/q+1/t16?,17-,18+,19?