| CID | 92 |
| pubchem_compound_canonicalized | 1 |
| pubchem_cactvs_complexity | 501 |
| pubchem_cactvs_hbond_acceptor | 5 |
| pubchem_cactvs_hbond_donor | 2 |
| pubchem_cactvs_rotatable_bond | 4 |
| pubchem_cactvs_subskeys | AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAA8WLFiAAAAAACx8AAAHgAACAAADXzhngY+xvMIFgCgAzRnRACCiCAxIiAI2CA+bJgONuLEsZuEcChkwBHY+Aew4PwOgEABAAACAAAAgAIAAAQAAAAAAAAAAA== |
| pubchem_iupac_openeye_name | 6-[hydroxy-(6-methoxy-4-quinolyl)methyl]-3-vinyl-quinuclidin-3-ol |
| pubchem_iupac_cas_name | 6-[hydroxy-(6-methoxy-4-quinolyl)methyl]-3-vinyl-3-quinuclidinol |
| pubchem_iupac_systematic_name | 5-ethenyl-7-[hydroxy-(6-methoxyquinolin-4-yl)methyl]-1-azabicyclo[2.2.2]octan-5-ol |
| pubchem_iupac_traditional_name | 6-[hydroxy-(6-methoxy-4-quinolyl)methyl]-3-vinyl-quinuclidin-3-ol |
| pubchem_nist_inchi | InChI=1S/C20H24N2O3/c1-3-20(24)12-22-9-7-13(20)10-18(22)19(23)15-6-8-21-17-5-4-14(25-2)11-16(15)17/h3-6,8,11,13,18-19,23-24H,1,7,9-10,12H2,2H3 |
| pubchem_cactvs_xlogp | 0 |
| pubchem_exact_mass | 340.178693 |
| pubchem_molecular_formula | C20H24N2O3 |
| pubchem_molecular_weight | 340.41616 |
| pubchem_openeye_can_smiles | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4(C=C)O)O |
| pubchem_openeye_iso_smiles | COC1=CC2=C(C=CN=C2C=C1)C(C3CC4CCN3CC4(C=C)O)O |
| pubchem_cactvs_tpsa | 65.8 |
| pubchem_monoisotopic_weight | 340.178693 |
| pubchem_total_charge | 0 |
| pubchem_heavy_atom_count | 25 |
| pubchem_atom_def_stereo_count | 0 |
| pubchem_atom_udef_stereo_count | 4 |
| pubchem_bond_def_stereo_count | 0 |
| pubchem_bond_udef_stereo_count | 0 |
| pubchem_isotopic_atom_count | 0 |
| pubchem_component_count | 1 |
| pubchem_cactvs_tauto_count | 1 |
| pubchem_bondannotations | 13 36 3
15 17 8
15 18 8
17 19 8
17 20 8
18 21 8
19 22 8
20 23 8
22 24 8
23 24 8
5 19 8
5 21 8
6 26 3
7 27 3
8 14 3 |
