64647-11-6
CIS-1-METHYL-1-(2-PHENOXYTETRAHYDRO-2H-PYRAN-3-YL)PIPERIDINIUM IODIDE
NameCIS-1-METHYL-1-(2-PHENOXYTETRAHYDRO-2H-PYRAN-3-YL)PIPERIDINIUM IODIDE
1Identification
【Name】
CIS-1-METHYL-1-(2-PHENOXYTETRAHYDRO-2H-PYRAN-3-YL)PIPERIDINIUM IODIDE
【CAS】
【MDL】
MFCD01699673
【English Synonyms】
【Formula】
C17 H26 N O2 . I
【MolWeight】
403.297
【Inchi】
InChI=1S/C17H26NO2.HI/c1-18(12-6-3-7-13-18)16-11-8-14-19-17(16)20-15-9-4-2-5-10-15;/h2,4-5,9-10,16-17H,3,6-8,11-14H2,1H3;1H/q+1;/p-1/t16-,17-;/m1./s1
【InChIKey】
InChIKey=IHXPTGLFABPXJI-GBNZRNLASA-M
【SMILES】
C[N+]1(CCCCC1)[C@@H]2CCCO[C@@H]2Oc3ccccc3.[I-]
【MOL File】
CIS-1-METHYL-1-(2-PH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
CIS-1-METHYL-1-(2-PHENOXYTETRAHYDRO-2H-PYRAN-3-YL)PIPERIDINIUM IODIDE.cml