Chemical ID: 6711349

CCOc1ccc(cc1)C(=O)OC2CC3CCC(C2)[NH+]3C
Chemical ID:
6711349
Name [?]:
(8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl) 4-ethoxybenzoate
SMILES [?]:
CCOc1ccc(cc1)C(=O)OC2CC3CCC(C2)[NH+]3C
InChi [?]:
InChI=1/C17H23NO3/c1-3-20-15-8-4-12(5-9-15)17(19)21-16-10-13-6-7-14(11-16)18(13)2/h4-5,8-9,13-14,16H,3,6-7,10-11H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,21,2,6,8,16,17,5,9,14,19,7,15,18,4,13,10,20,11,3,12/E:(4,5)(6,7)(8,9)(10,11)(13,14)/rA:21cCCOCCCCCCCOOCCCCCCCN+C/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s7;d10;s10;s12;s13;s14;s15;s16;s17;s13s18;s15s18;s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H24NO3+
All Atoms:21
Heavy Atoms:21
Chiral Atoms:2
ZAP Information [?]
Total:-19.2588
Area:498.891
Solvation:-31.7311
Coulombic:2.6056
Bond Count [?]
All:23
Single:19
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.377
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.27
LogP (Chemaxon):2.13

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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