Chemical ID: 4554142

CCOc1ccc(cc1)C(=O)OCCC2CCC[N+]3(C2CCCC3)C
Chemical ID:
4554142
Name [?]:
2-(4a-methyl-2,3,4,5,6,7,8,8a-octahydro-1H-quinolizin-1-yl)ethyl 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OCCC2CCC[N+]3(C2CCCC3)C
InChi [?]:
None
InChi Info:
None

Chemical Details

Atom Count
Formula:C21H32NO3+
All Atoms:25
Heavy Atoms:25
Chiral Atoms:3
ZAP Information [?]
Total:-14.6298
Area:576.51
Solvation:-29.0425
Coulombic:-4.95593
Bond Count [?]
All:27
Single:23
Double:4
Rotors:7
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:346.484
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.87
LogP (Chemaxon):-1.3

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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