53310-33-1
1-(3-HYDROXY-3-METHYL-5-PHENYL-4-PENTYNYL)-1-METHYLPIPERIDINIUM IODIDE
Name1-(3-HYDROXY-3-METHYL-5-PHENYL-4-PENTYNYL)-1-METHYLPIPERIDINIUM IODIDE
1Identification
【Name】
1-(3-HYDROXY-3-METHYL-5-PHENYL-4-PENTYNYL)-1-METHYLPIPERIDINIUM IODIDE
【CAS】
【MDL】
MFCD01699748
【English Synonyms】
【Formula】
C18 H26 N O . I
【MolWeight】
399.309
【Inchi】
InChI=1S/C18H26NO.HI/c1-18(20,12-11-17-9-5-3-6-10-17)13-16-19(2)14-7-4-8-15-19;/h3,5-6,9-10,20H,4,7-8,13-16H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=LIGQFXVSOMJRHG-UHFFFAOYSA-M
【SMILES】
CC(CC[N+]1(CCCCC1)C)(C#Cc2ccccc2)O.[I-]
【MOL File】
1-(3-HYDROXY-3-METHY….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(3-HYDROXY-3-METHYL-5-PHENYL-4-PENTYNYL)-1-METHYLPIPERIDINIUM IODIDE.cml