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ZINC03398979 9H-fluoren-9-yl-[(4-methoxyphenyl)methyl]-methylazanium,C

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摘 要:ZINC03398979 9H-fluoren-9-yl-[(4-methoxyphenyl)methyl]-methylazanium,Canonical SMILES: C[NH+](CC1=CC=C(C=C1)OC)C2C3=CC=CC=C3C4=CC=CC=C24,InChI: InChI=1/C22H21NO/c1-23(15-16-11-13-17(24-2)14-12-16)22-20-9-5-3-7-18(20),19-8-4-6-10-21(19)22/h3-14,22H,15
[Synonyms]
ZINC03398979
[Structure]
ZINC03398979 9H-fluoren-9-yl-[(4-methoxyphenyl)methyl]-methylazanium,C

[ Properties Computed from Structure]
Molecular Weight316.41618 [g/mol]
Molecular FormulaC22H22NO+
H-Bond Donor1
H-Bond Acceptor1
Rotatable Bond Count4
Exact Mass316.170139
MonoIsotopic Mass316.170139
Topological Polar Surface Area13.7
Heavy Atom Count24
Formal Charge1
Complexity381
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: 9H-fluoren-9-yl-[(4-methoxyphenyl)methyl]-methylazanium
Canonical SMILES: C[NH+](CC1=CC=C(C=C1)OC)C2C3=CC=CC=C3C4=CC=CC=C24
InChI: InChI=1/C22H21NO/c1-23(15-16-11-13-17(24-2)14-12-16)22-20-9-5-3-7-18(20)
19-8-4-6-10-21(19)22/h3-14,22H,15H2,1-2H3/p+1/fC22H22NO/h23H/q+1

 
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