Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 505.25776 [g/mol] Molecular Formula C23H29Cl3N2Zn H-Bond Donor 0 H-Bond Acceptor 4 Rotatable Bond Count 5 Exact Mass 502.068779 MonoIsotopic Mass 502.068779 Topological Polar Surface Area 6.3 Heavy Atom Count 29 Formal Charge 0 Complexity 504 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 1 Covalently-Bonded Unit Count 5
[ Descriptors Computed from Structure]
IUPAC Name: zinc N,N-diethyl-4-[2-(1,3,3-trimethylindol-1-ium-2-yl)ethenyl]aniline
trichloride
Canonical SMILES: CCN(CC)C1=CC=C(C=C1)C=CC2=[N+](C3=CC=CC=C3C2(C)C)C.[Cl-].[Cl-].[Cl-].
[Zn+2]
InChI: InChI=1/C23H29N2.3ClH.Zn/c1-6-25(7-2)19-15-12-18(13-16-19)14-17-22-23(3,
4)20-10-8-9-11-21(20)24(22)5;;;;/h8-17H,6-7H2,
1-5H3;3*1H;/q+1;;;;+2/p-3/fC23H29N2.3Cl.Zn/h;3*1h;/qm;3*-1;m
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