17810-53-6
1-(P-CYCLOPENTYL-BETA-(PENTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
Name1-(P-CYCLOPENTYL-BETA-(PENTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
1Identification
【Name】
1-(P-CYCLOPENTYL-BETA-(PENTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE
【CAS】
【MDL】
MFCD01691265
【English Synonyms】
【Formula】
C23 H32 N O . Br
【MolWeight】
418.416
【Inchi】
InChI=1S/C23H32NO.BrH/c1-2-3-9-18-25-23(19-24-16-7-4-8-17-24)22-14-12-21(13-15-22)20-10-5-6-11-20;/h4,7-8,12-17,20,23H,2-3,5-6,9-11,18-19H2,1H3;1H/q+1;/p-1
【InChIKey】
InChIKey=WEUGYOPQCOITSU-UHFFFAOYSA-M
【SMILES】
CCCCCOC(C[n+]1ccccc1)c2ccc(cc2)C3CCCC3.[Br-]
【MOL File】
1-(P-CYCLOPENTYL-BET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:2
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1-(P-CYCLOPENTYL-BETA-(PENTYLOXY)PHENETHYL)PYRIDINIUM BROMIDE.cml