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Chemical ID: 4654088
Chemical ID:
4654088
Name [?]:
1-benzyl-1-azoniabicyclo[2.2.2]octan-5-ol
SMILES [?]:
c1ccc(cc1)C[N+]23CCC(CC2)C(C3)O
InChi [?]:
InChI=1/C14H20NO/c16-14-11-15(8-6-13(14)7-9-15)10-12-4-2-1-3-5-12/h1-5,13-14,16H,6-11H2/q+1
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,12,9,13,7,15,4,11,14,8,16/E:(2,3)(4,5)(6,7)(8,9)/CRV:15+1/rA:16cCCCCCCCN+CCCCCCCO/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s8s12;s11;s8s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H20NO+ |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | -18.6812 |
Area: | 374.821 |
Solvation: | -28.0518 |
Coulombic: | 6.39097 |
Bond Count [?]
All: | 18 |
Single: | 15 |
Double: | 3 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 218.315 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 0.36 |
LogP (Chemaxon): | -2.77 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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