57330-92-4
1,2,5,6-TETRAHYDRO-1-(3,4,5-TRIMETHOXYPHENYL)-1,4,5-TRIMETHYLPYRIDINIUM CHLORIDE
Name1,2,5,6-TETRAHYDRO-1-(3,4,5-TRIMETHOXYPHENYL)-1,4,5-TRIMETHYLPYRIDINIUM CHLORIDE
1Identification
【Name】
1,2,5,6-TETRAHYDRO-1-(3,4,5-TRIMETHOXYPHENYL)-1,4,5-TRIMETHYLPYRIDINIUM CHLORIDE
【CAS】
【MDL】
MFCD01766116
【English Synonyms】
【Formula】
C17 H26 N O3 . Cl
【MolWeight】
327.849
【Inchi】
InChI=1S/C17H26NO3.ClH/c1-12-7-8-18(3,11-13(12)2)14-9-15(19-4)17(21-6)16(10-14)20-5;/h7,9-10,13H,8,11H2,1-6H3;1H/q+1;/p-1
【InChIKey】
InChIKey=CNFVNIHBTSURQD-UHFFFAOYSA-M
【SMILES】
CC1C[N+](CC=C1C)(C)c2cc(c(c(c2)OC)OC)OC.[Cl-]
【MOL File】
1,2,5,6-TETRAHYDRO-1….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,2,5,6-TETRAHYDRO-1-(3,4,5-TRIMETHOXYPHENYL)-1,4,5-TRIMETHYLPYRIDINIUM CHLORIDE.cml