88973-10-8
1-METHYL-2-(2-(METHYLTHIO)-2-(1-PIPERIDINYL)ETHYNYL)QUINOLINIUM IODIDE
Name1-METHYL-2-(2-(METHYLTHIO)-2-(1-PIPERIDINYL)ETHYNYL)QUINOLINIUM IODIDE
pro_formulaC18 H23 N2 S . I
1Identification
【Name】
1-METHYL-2-(2-(METHYLTHIO)-2-(1-PIPERIDINYL)ETHYNYL)QUINOLINIUM IODIDE
【CAS】
【MDL】
MFCD01685173
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C18 H23 N2 S . I
【pro_molWeight】
426.36
【Inchi】
InChI=1S/C18H23N2S.HI/c1-19-16(11-10-15-8-4-5-9-17(15)19)14-18(21-2)20-12-6-3-7-13-20;/h4-5,8-11,14H,3,6-7,12-13H2,1-2H3;1H/q+1;/p-1
【InChIKey】
InChIKey=GDAYFNYXYZQOQL-UHFFFAOYSA-M
【SMILES】
C[n+]1c(ccc2c1cccc2)/C=C(\N3CCCCC3)/SC.[I-]
【MOL File】
1-METHYL-2-(2-(METHY….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:2
XLogP3:2.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
1-METHYL-2-(2-(METHYLTHIO)-2-(1-PIPERIDINYL)ETHYNYL)QUINOLINIUM IODIDE.cml