174198-19-7
2,9-DIPIPERIDINO-13-THIABICYCLO(8.2.1)TRIDEC-5-ENE 13-OXIDE DIHYDROCHL ORIDE
Name2,9-DIPIPERIDINO-13-THIABICYCLO(8.2.1)TRIDEC-5-ENE 13-OXIDE DIHYDROCHL ORIDE
FormulaC22 H38 N2 O S . 2 Cl H
1Identification
【Name】
2,9-DIPIPERIDINO-13-THIABICYCLO(8.2.1)TRIDEC-5-ENE 13-OXIDE DIHYDROCHL ORIDE
【CAS】
【MDL】
MFCD01756600
【English Synonyms】
【Formula】
C22 H38 N2 O S . 2 Cl H
【MolWeight】
451.543
【Inchi】
InChI=1S/C22H38N2OS.2ClH/c25-26-21-13-14-22(26)20(24-17-9-4-10-18-24)12-6-2-1-5-11-19(21)23-15-7-3-8-16-23;;/h1-2,19-22H,3-18H2;2*1H/b2-1-;;/t19?,20?,21-,22+,26?;;
【InChIKey】
InChIKey=HYIWTGIFVLSJCT-FTUUSTPOSA-N
【SMILES】
C1CCN(CC1)C2CC/C=C\CCC([C@H]3CC[C@@H]2S3=O)N4CCCCC4.Cl.Cl
【MOL File】
2,9-DIPIPERIDINO-13-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,9-DIPIPERIDINO-13-THIABICYCLO(8.2.1)TRIDEC-5-ENE 13-OXIDE DIHYDROCHL ORIDE.cml