4-[(S)-[(2R,4R,5R)-5-ethyl-1-[[3-[[(2R,4S,5R)-5-ethyl-2-[(S)-prop-2-enoxy(quinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxy-methyl]quinoline

Systemtic Name: 4-[(S)-[(2R,4R,5R)-5-ethyl-1-[[3-[[(2R,4S,5R)-5-ethyl-2-[(S)-prop-2-enoxy(quinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxy-methyl]quinoline Openeye Name: 4-[(S)-allyloxy-[(2R,4R,5R)-1-[[3-[[(2R,4S,5R)-2-[(S)-allyloxy(4-quinolyl)methyl]-5-ethyl-quinuclidin-1-ium-1-yl]methyl]phenyl]methyl]-5-ethyl-quinuclidin-1-ium-2-yl]methyl]quinoline CAS Name: 4-[(S)-[(2R,4R,5R)-5-ethyl-1-[[3-[[(2R,4S,5R)-5-ethyl-2-[(S)-prop-2-enoxy(4-quinolinyl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline IUPAC Name: 4-[(S)-[(2R,4R,5R)-5-ethyl-1-[[3-[[(2R,4S,5R)-5-ethyl-2-[(S)-prop-2-enoxy(quinolin-4-yl)methyl]-1-azoniabicyclo[2.2.2]octan-1-yl]methyl]phenyl]methyl]-1-azoniabicyclo[2.2.2]octan-2-yl]-prop-2-enoxymethyl]quinoline Traditional Name: 4-[(S)-allyloxy-[(2R,4R,5R)-1-[3-[[(2R,4S,5R)-2-[(S)-allyloxy(4-quinolyl)methyl]-5-ethyl-quinuclidin-1-ium-1-yl]methyl]benzyl]-5-ethyl-quinuclidin-1-ium-2-yl]methyl]quinoline Formula: C52H64N4O2+2 MolecularWeight: 777.09016

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C[N+]2(CCC1CC2C(C3=CC=NC4=CC=CC=C34)OCC=C)CC5=CC(=CC=C5)C[N+]67CCC(CC6C(C8=CC=NC9=CC=CC=C89)OCC=C)C(C7)CC

Isomeric SMILES

CC[C@H]1C[N+]2(CC[C@H]1C[C@@H]2[C@H](C3=CC=NC4=CC=CC=C34)OCC=C)CC5=CC(=CC=C5)C[N+]67CC[C@H](C[C@@H]6[C@H](C8=CC=NC9=CC=CC=C89)OCC=C)[C@H](C7)CC

InChI

InChI=1S/C52H64N4O2/c1-5-28-57-51(45-20-24-53-47-18-11-9-16-43(45)47)49-31-41-22-26-55(49,35-39(41)7-3)33-37-14-13-15-38(30-37)34-56-27-23-42(40(8-4)36-56)32-50(56)52(58-29-6-2)46-21-25-54-48-19-12-10-17-44(46)48/h5-6,9-21,24-25,30,39-42,49-52H,1-2,7-8,22-23,26-29,31-36H2,3-4H3/q+2/t39-,40-,41-,42+,49+,50+,51-,52-,55?,56?/m0/s1