(R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol bromide

Systemtic Name: (R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol bromide Openeye Name: (R)-[(2S,4S,5R)-1-(9-anthrylmethyl)-5-ethyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol bromide CAS Name: (R)-[(2S,4S,5R)-1-(9-anthracenylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol bromide IUPAC Name: (R)-[(2S,4S,5R)-1-(anthracen-9-ylmethyl)-5-ethyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol bromide Traditional Name: (R)-[(2S,4S,5R)-1-(9-anthrylmethyl)-5-ethyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol bromide Formula: C34H35BrN2O MolecularWeight: 567.5585

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=C6C=CC=CC6=CC7=CC=CC=C75.[Br-]

Isomeric SMILES

CC[C@H]1C[N+]2(CC[C@H]1C[C@H]2[C@@H](C3=CC=NC4=CC=CC=C34)O)CC5=C6C=CC=CC6=CC7=CC=CC=C75.[Br-]

InChI

InChI=1S/C34H35N2O.BrH/c1-2-23-21-36(22-31-27-11-5-3-9-25(27)19-26-10-4-6-12-28(26)31)18-16-24(23)20-33(36)34(37)30-15-17-35-32-14-8-7-13-29(30)32;/h3-15,17,19,23-24,33-34,37H,2,16,18,20-22H2,1H3;1H/q+1;/p-1/t23-,24-,33-,34+,36?;/m0./s1