Bis((5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol);sulfate
bis((5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol);sulfate
Also Known As: Cinchonine sulfate, cinchonine, Cinchonine sulphate, Cinchonan-9(S)-ol hemisulfate salt, EINECS 227-708-4, CINCHONINE, SULFATE (2:1) (salt), cinchonine, sulfate (2:1), (9S)-isomer, Cinchonan-9-ol, (9S)-, sulfate (2:1) (salt), I08-1046, (5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol sulfate, bis(5-ethenyl-2-[hydroxy(quinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-1-ium) sulfate
| Molecular Formula | C38H46N4O6S |
|---|---|
| Molecular Weight | 686.3138 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 155.38 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 686.3138 |
| Heavy Atoms | 49 |
| Complexity | 1749 |
Chemical Identifiers
| CAS Number | 5949-16-6 |
|---|---|
| SMILES | C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.C=CC1C[NH+]2CCC1CC2C(C3=CC=NC4=CC=CC=C34)O.[O-]S(=O)(=O)[O-] |
Product Overview
Bis((5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol);sulfate (CAS 5949-16-6), with molecular formula C38H46N4O6S and molecular weight 686.3138 g/mol. IUPAC: bis((5-ethenyl-1-azoniabicyclo[2.2.2]octan-2-yl)-quinolin-4-ylmethanol);sulfate.
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