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Home > Indoles and Oxindole > 915693-51-5
915693-51-5 | Quinolinium, 1-methyl-4-[[(2-methyl-5-nitro-1H-indol-1-yl)imino]methyl]-
CAS No: 915693-51-5 Catalog No: AG0068MB MDL No:
Product Description
Catalog Number:
AG0068MB
Chemical Name:
Quinolinium, 1-methyl-4-[[(2-methyl-5-nitro-1H-indol-1-yl)imino]methyl]-
CAS Number:
915693-51-5
Molecular Formula:
C20H17N4O2+
Molecular Weight:
345.3746
IUPAC Name:
N-(2-methyl-5-nitroindol-1-yl)-1-(1-methylquinolin-1-ium-4-yl)methanimine
InChI:
InChI=1S/C20H17N4O2/c1-14-11-16-12-17(24(25)26)7-8-19(16)23(14)21-13-15-9-10-22(2)20-6-4-3-5-18(15)20/h3-13H,1-2H3/q+1
InChI Key:
HUNSUVISNLGJOE-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc2c(c1)cc(n2N=Cc1cc[n+](c2c1cccc2)C)C
Properties
Complexity:
548
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.135g/mol
Formal Charge:
1
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.382g/mol
Monoisotopic Mass:
345.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
67A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
4.4
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