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[2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-diethyl-prop-2-enylazanium

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摘 要: [2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-diethyl-prop-2-enylazanium,Canonical SMILES: CC[N+](CC)(CC=C)CC(=O)NC1=C(C=CC=C1C)C,InChI: InChI=1/C17H26N2O/c1-6-12-19(7-2,,8-3)13-16(20)18-17-14(4)10-9-11-15(17)5/h6,9-11H,1,7-8,12-13H2,,2-5H3/p+1/fC17H27
[Synonyms]

[Structure]
 [2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-diethyl-prop-2-enylazanium

[ Properties Computed from Structure]
Molecular Weight275.40908 [g/mol]
Molecular FormulaC17H27N2O+
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count7
Tautomer Count2
Exact Mass275.212338
MonoIsotopic Mass275.212338
Topological Polar Surface Area29.1
Heavy Atom Count20
Formal Charge1
Complexity313
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count0
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: [2-[(2,6-dimethylphenyl)amino]-2-oxoethyl]-diethyl-prop-2-enylazanium
Canonical SMILES: CC[N+](CC)(CC=C)CC(=O)NC1=C(C=CC=C1C)C
InChI: InChI=1/C17H26N2O/c1-6-12-19(7-2,
8-3)13-16(20)18-17-14(4)10-9-11-15(17)5/h6,9-11H,1,7-8,12-13H2,
2-5H3/p+1/fC17H27N2O/h18H/q+1

 
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