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139332-12-0 | 12H-Indolo[2,3-a]quinolizin-5-ium, 2,3-diethyl-, bromide (9CI)
CAS No: 139332-12-0 Catalog No: AG001ARB MDL No:
Product Description
Catalog Number:
AG001ARB
Chemical Name:
12H-Indolo[2,3-a]quinolizin-5-ium, 2,3-diethyl-, bromide (9CI)
CAS Number:
139332-12-0
Molecular Formula:
C19H19BrN2
Molecular Weight:
355.2716
IUPAC Name:
2,3-diethyl-12H-indolo[2,3-a]quinolizin-5-ium;bromide
InChI:
InChI=1S/C19H18N2.BrH/c1-3-13-11-18-19-16(9-10-21(18)12-14(13)4-2)15-7-5-6-8-17(15)20-19;/h5-12H,3-4H2,1-2H3;1H
InChI Key:
FGZDORNHCTZZGD-UHFFFAOYSA-N
SMILES:
CCc1cc2[n+](cc1CC)ccc1c2[nH]c2c1cccc2.[Br-]
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
354.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.279g/mol
Monoisotopic Mass:
354.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
19.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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