Chemical ID: 6487970

C[NH+]1C2CCC1CC(C2)OC(=O)CC[NH+]3CCCC3
Chemical ID:
6487970
Name [?]:
(8-methyl-8-azoniabicyclo[3.2.1]oct-3-yl) 3-(2,3,4,5-tetrahydropyrrol-1-yl)propanoate
SMILES [?]:
C[NH+]1C2CCC1CC(C2)OC(=O)CC[NH+]3CCCC3
InChi [?]:
InChI=1/C15H26N2O2/c1-16-12-4-5-13(16)11-14(10-12)19-15(18)6-9-17-7-2-3-8-17/h12-14H,2-11H2,1H3/p+2
InChi Info:
AuxInfo=1/1/N:1,17,18,4,5,13,16,19,14,9,7,3,6,8,11,2,15,12,10/E:(2,3)(4,5)(7,8)(10,11)(12,13)/rA:19cCN+CCCCCCCOCOCCN+CCCC/rB:s1;s2;s3;s4;s2s5;s6;s7;s3s8;s8;s10;d11;s11;s13;s14;s15;s16;s17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C15H28N2O2+2
All Atoms:19
Heavy Atoms:19
Chiral Atoms:2
ZAP Information [?]
Total:-68.4263
Area:470.509
Solvation:-80.189
Coulombic:63.0099
Bond Count [?]
All:21
Single:20
Double:1
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:268.395
H-Bond Donors:2
H-Bond Acceptors:4
XLogP:1.41
LogP (Chemaxon):0.68

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