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72828-74-1 | Quinolinium,4-[[(2,3-dihydro-2-methyl-1H-indol-1-yl)imino]methyl]-1-methyl-, chloride (1:1)
CAS No: 72828-74-1 Catalog No: AG005EK2 MDL No:
Product Description
Catalog Number:
AG005EK2
Chemical Name:
Quinolinium,4-[[(2,3-dihydro-2-methyl-1H-indol-1-yl)imino]methyl]-1-methyl-, chloride (1:1)
CAS Number:
72828-74-1
Molecular Formula:
C20H20ClN3
Molecular Weight:
337.8459
IUPAC Name:
N-(2-methyl-2,3-dihydroindol-1-yl)-1-(1-methylquinolin-1-ium-4-yl)methanimine;chloride
InChI:
InChI=1S/C20H20N3.ClH/c1-15-13-16-7-3-5-9-19(16)23(15)21-14-17-11-12-22(2)20-10-6-4-8-18(17)20;/h3-12,14-15H,13H2,1-2H3;1H/q+1;/p-1
InChI Key:
IXBUEUFJJCTIQA-UHFFFAOYSA-M
SMILES:
CC1Cc2c(N1N=Cc1cc[n+](c3c1cccc3)C)cccc2.[Cl-]
EC Number:
276-885-4
Properties
Complexity:
435
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.135g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
337.851g/mol
Monoisotopic Mass:
337.135g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
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