21199-38-2
2-(2-(1-METHYLINDOL-3-YL)ETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
Name2-(2-(1-METHYLINDOL-3-YL)ETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
pro_formulaC22 H31 N3 . 2 Br
1Identification
【Name】
2-(2-(1-METHYLINDOL-3-YL)ETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD01691022
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C22 H31 N3 . 2 Br
【pro_molWeight】
497.316
【Inchi】
InChI=1S/C22H31N3.2BrH/c1-23-18-19(21-11-5-6-12-22(21)23)13-14-20-10-7-8-15-24(20)16-9-17-25(2,3)4;;/h5-8,10-12,15,18H,9,13-14,16-17H2,1-4H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=AVSGYCMQUBOYGP-UHFFFAOYSA-L
【SMILES】
Cn1cc(c2c1cccc2)CCc3cccc[n+]3CCC[N+](C)(C)C.[Br-].[Br-]
【MOL File】
2-(2-(1-METHYLINDOL-….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:0
pro_acceptors:3
XLogP3:-1.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
2-(2-(1-METHYLINDOL-3-YL)ETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE.cml