21074-54-4
4-(2-INDOL-3-YLVINYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
Name4-(2-INDOL-3-YLVINYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
1Identification
【Name】
4-(2-INDOL-3-YLVINYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE
【CAS】
【MDL】
MFCD01691077
【English Synonyms】
【Formula】
C21 H27 N3 . 2 Br
【MolWeight】
481.273
【Inchi】
InChI=1S/C21H26N3.2BrH/c1-24(2,3)16-6-13-23-14-11-18(12-15-23)9-10-19-17-22-21-8-5-4-7-20(19)21;;/h4-5,7-12,14-15,17H,6,13,16H2,1-3H3;2*1H/q+1;;/p-1
【InChIKey】
InChIKey=QVZJQXHMPMASMV-UHFFFAOYSA-M
【SMILES】
C[N+](C)(C)CCC[n+]1ccc(cc1)/C=C/c2c[nH]c3c2cccc3.[Br-].[Br-]
【MOL File】
4-(2-INDOL-3-YLVINYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:3
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4-(2-INDOL-3-YLVINYL)-1-(3-(TRIMETHYLAMMONIO)PROPYL)PYRIDINIUM DIBROMIDE.cml