[(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylsulfanylpropanoate

Systemtic Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylsulfanylpropanoate Openeye Name: [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-phenylsulfanylpropanoate CAS Name: 2-(phenylthio)propanoic 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] 2-phenylsulfanylpropanoate Traditional Name: 2-(phenylthio)propionic acid [(1R,5S)-8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C18H26NO2S+ MolecularWeight: 320.46954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OC1CC2CCC(C1)[N+]2(C)C)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)OC1C[C@H]2CC[C@@H](C1)[N+]2(C)C)SC3=CC=CC=C3

InChI

InChI=1S/C18H26NO2S/c1-13(22-17-7-5-4-6-8-17)18(20)21-16-11-14-9-10-15(12-16)19(14,2)3/h4-8,13-16H,9-12H2,1-3H3/q+1/t13?,14-,15+,16?