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

Systemtic Name: (R)-[(2S,4S,5R)-1-(acridin-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-yl-methanol bromide Openeye Name: (R)-[(2S,4S,5R)-1-(acridin-9-ylmethyl)-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol bromide CAS Name: (R)-[(2S,4S,5R)-1-(9-acridinylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(4-quinolinyl)methanol bromide IUPAC Name: (R)-[(2S,4S,5R)-1-(acridin-9-ylmethyl)-5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl]-quinolin-4-ylmethanol bromide Traditional Name: (R)-[(2S,4S,5R)-1-(acridin-9-ylmethyl)-5-vinyl-quinuclidin-1-ium-2-yl]-(4-quinolyl)methanol bromide Formula: C33H32BrN3O MolecularWeight: 566.53068

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Descriptors Computed from Structure

Canonical SMILES:

C=CC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)O)CC5=C6C=CC=CC6=NC7=CC=CC=C75.[Br-]

Isomeric SMILES

C=C[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=NC7=CC=CC=C75.[Br-]

InChI

InChI=1S/C33H32N3O.BrH/c1-2-22-20-36(21-28-25-10-4-7-13-30(25)35-31-14-8-5-11-26(28)31)18-16-23(22)19-32(36)33(37)27-15-17-34-29-12-6-3-9-24(27)29;/h2-15,17,22-23,32-33,37H,1,16,18-21H2;1H/q+1;/p-1/t22-,23-,32-,33+,36?;/m0./s1