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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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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value