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benzoyl-dodecyl-dimethylazanium,Canonical SMILES: CCCCCCCCCCCC[N+](C)

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摘 要: benzoyl-dodecyl-dimethylazanium,Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C(=O)C1=CC=CC=C1,InChI: InChI=1/C21H36NO/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,,3)21(23)20-17-14-13-15-18-20/h13-15,17-18H,4-12,16,19H2,1-3H3/q+1,Molecular Weight318.51664 [g/mol]M
[Synonyms]

[Structure]
 benzoyl-dodecyl-dimethylazanium,Canonical SMILES: CCCCCCCCCCCC[N+](C)

[ Properties Computed from Structure]
Molecular Weight318.51664 [g/mol]
Molecular FormulaC21H36NO+
H-Bond Donor0
H-Bond Acceptor1
Rotatable Bond Count12
Exact Mass318.27969
MonoIsotopic Mass318.27969
Topological Polar Surface Area17.1
Heavy Atom Count23
Formal Charge1
Complexity305
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: benzoyl-dodecyl-dimethylazanium
Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C(=O)C1=CC=CC=C1
InChI: InChI=1/C21H36NO/c1-4-5-6-7-8-9-10-11-12-16-19-22(2,
3)21(23)20-17-14-13-15-18-20/h13-15,17-18H,4-12,16,19H2,1-3H3/q+1

 
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