Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 254.3501 [g/mol] Molecular Formula C16H20N3+ H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 2 Exact Mass 254.165723 MonoIsotopic Mass 254.165723 Topological Polar Surface Area 18.6 Heavy Atom Count 19 Formal Charge 1 Complexity 375 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: [4-(4-dimethylaminophenyl)imino-1-cyclohexa-2,
5-dienylidene]-dimethylazanium
Canonical SMILES: CN(C)C1=CC=C(C=C1)N=C2C=CC(=[N+](C)C)C=C2
InChI: InChI=1/C16H20N3/c1-18(2)15-9-5-13(6-10-15)17-14-7-11-16(12-8-14)19(3)4/
h5-12H,1-4H3/q+1
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