[8-(1-bromanylpropan-2-yl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate

Systemtic Name: [8-(1-bromanylpropan-2-yl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-oxidanyl-2-phenyl-propanoate Openeye Name: [8-(2-bromo-1-methyl-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenyl-propanoate CAS Name: 3-hydroxy-2-phenylpropanoic acid [8-(1-bromopropan-2-yl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester IUPAC Name: [8-(1-bromopropan-2-yl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] 3-hydroxy-2-phenylpropanoate Traditional Name: 3-hydroxy-2-phenyl-propionic acid [8-(2-bromo-1-methyl-ethyl)-8-methyl-8-azoniabicyclo[3.2.1]octan-3-yl] ester Formula: C20H29BrNO3+ MolecularWeight: 411.35316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29BrNO3/c1-14(12-21)22(2)16-8-9-17(22)11-18(10-16)25-20(24)19(13-23)15-6-4-3-5-7-15/h3-7,14,16-19,23H,8-13H2,1-2H3/q+1