Chemical ID: 6734708

c1ccc2c(c1)n(c(=[NH2+])n2CCO)CC[NH+]3CCCCC3
Chemical ID:
6734708
Name [?]:
[3-(2-hydroxyethyl)-1-[2-(3,4,5,6-tetrahydro-2H-pyridin-1-yl)ethyl]benzoimidazol-2-ylidene]ammonium
SMILES [?]:
c1ccc2c(c1)n(c(=[NH2+])n2CCO)CC[NH+]3CCCCC3
InChi [?]:
InChI=1/C16H24N4O/c17-16-19(11-10-18-8-4-1-5-9-18)14-6-2-3-7-15(14)20(16)12-13-21/h2-3,6-7,17,21H,1,4-5,8-13H2/p+2
InChi Info:
AuxInfo=1/1/N:19,1,2,18,20,6,3,17,21,15,14,11,12,5,4,8,9,16,7,10,13/E:(4,5)(8,9)/rA:21nCCCCCCNCN+NCCOCCN+CCCCC/rB:s1;d2;s3;d4;d1s5;s5;s7;d8;s4s8;s10;s11;s12;s7;s14;s15;s16;s17;s18;s19;s16s20;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C16H26N4O+2
All Atoms:47
Heavy Atoms:21
Chiral Atoms:0
ZAP Information [?]
Total:-89.4491
Area:499.178
Solvation:-101.929
Coulombic:31.93
Bond Count [?]
All:23
Single:19
Double:4
Rotors:5
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:290.404
H-Bond Donors:4
H-Bond Acceptors:3
XLogP:1.9
LogP (Chemaxon):2.97

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Descriptor Annotations

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