[(3R)-1-(2-naphthalen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate

Systemtic Name: [(3R)-1-(2-naphthalen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate Openeye Name: [(3R)-1-[2-(2-naphthyl)ethyl]quinuclidin-1-ium-3-yl] 1-phenylcycloheptanecarboxylate CAS Name: 1-phenyl-1-cycloheptanecarboxylic acid [(3R)-1-[2-(2-naphthalenyl)ethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] ester IUPAC Name: [(3R)-1-(2-naphthalen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 1-phenylcycloheptane-1-carboxylate Traditional Name: 1-phenylcycloheptanecarboxylic acid [(3R)-1-[2-(2-naphthyl)ethyl]quinuclidin-1-ium-3-yl] ester Formula: C33H40NO2+ MolecularWeight: 482.6762

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)OC3C[N+]4(CCC3CC4)CCC5=CC6=CC=CC=C6C=C5

Isomeric SMILES

C1CCCC(CC1)(C2=CC=CC=C2)C(=O)O[C@H]3C[N+]4(CCC3CC4)CCC5=CC6=CC=CC=C6C=C5

InChI

InChI=1S/C33H40NO2/c35-32(33(19-8-1-2-9-20-33)30-12-4-3-5-13-30)36-31-25-34(22-17-28(31)18-23-34)21-16-26-14-15-27-10-6-7-11-29(27)24-26/h3-7,10-15,24,28,31H,1-2,8-9,16-23,25H2/q+1/t28?,31-,34?/m0/s1