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19221-06-8 | 3H-Indolium, 1,3,3-trimethyl-2-[3-(1-methyl-4(1H)-pyridinylidene)-1-propen-1-yl]-, iodide (1:1)
CAS No: 19221-06-8 Catalog No: AG002FRM MDL No:
Product Description
Catalog Number:
AG002FRM
Chemical Name:
3H-Indolium, 1,3,3-trimethyl-2-[3-(1-methyl-4(1H)-pyridinylidene)-1-propen-1-yl]-, iodide (1:1)
CAS Number:
19221-06-8
Molecular Formula:
C20H23IN2
Molecular Weight:
418.3145
IUPAC Name:
1,3,3-trimethyl-2-[3-(1-methylpyridin-1-ium-4-yl)prop-1-enylidene]indole;iodide
InChI:
InChI=1S/C20H23N2.HI/c1-20(2)17-9-5-6-10-18(17)22(4)19(20)11-7-8-16-12-14-21(3)15-13-16;/h5-7,9-10,12-15H,8H2,1-4H3;1H/q+1;/p-1
InChI Key:
RXLKGAXIAPSCSJ-UHFFFAOYSA-M
SMILES:
Cn1ccc(=CC=CC2=[N+](C)c3c(C2(C)C)cccc3)cc1.[I-]
Properties
Complexity:
450
Compound Is Canonicalized:
No
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.091g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.322g/mol
Monoisotopic Mass:
418.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
7.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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