21199-41-7
4-(2-INDOL-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
Name4-(2-INDOL-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
1Identification
【Name】
4-(2-INDOL-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD01691073
【English Synonyms】
【Formula】
C21 H29 N3 . 2 Br
【MolWeight】
483.289
【Inchi】
InChI=1S/C21H29N3.2BrH/c1-24(2,3)18-6-13-22-14-9-19(10-15-22)11-16-23-17-12-20-7-4-5-8-21(20)23;;/h4-5,7-10,12,14-15,17H,6,11,13,16,18H2,1-3H3;2*1H/q+2;;/p-2
【InChIKey】
InChIKey=BNUYYTDIIMFQMA-UHFFFAOYSA-L
【SMILES】
C[N+](C)(C)CCC[n+]1ccc(cc1)CCn2ccc3c2cccc3.[Br-].[Br-]
【MOL File】
4-(2-INDOL-1-YLETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:3
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-INDOL-1-YLETHYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE.cml