[1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-methyl-10H-anthracene-9-carboxylate

Systemtic Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-methyl-10H-anthracene-9-carboxylate Openeye Name: [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] 9-methyl-10H-anthracene-9-carboxylate CAS Name: 9-methyl-10H-anthracene-9-carboxylic acid [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] ester IUPAC Name: [1-(3-phenoxypropyl)-1-azoniabicyclo[2.2.2]octan-4-yl] 9-methyl-10H-anthracene-9-carboxylate Traditional Name: 9-methyl-10H-anthracene-9-carboxylic acid [1-(3-phenoxypropyl)quinuclidin-1-ium-4-yl] ester Formula: C32H36NO3+ MolecularWeight: 482.63314

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2CC3=CC=CC=C31)C(=O)OC45CC[N+](CC4)(CC5)CCCOC6=CC=CC=C6

Isomeric SMILES

CC1(C2=CC=CC=C2CC3=CC=CC=C31)C(=O)OC45CC[N+](CC4)(CC5)CCCOC6=CC=CC=C6

InChI

InChI=1S/C32H36NO3/c1-31(28-14-7-5-10-25(28)24-26-11-6-8-15-29(26)31)30(34)36-32-16-20-33(21-17-32,22-18-32)19-9-23-35-27-12-3-2-4-13-27/h2-8,10-15H,9,16-24H2,1H3/q+1