Chemical ID: 5000722

C[N+](C)(C)CCc1cc(c(c(c1)OC)OC)OC
Chemical ID:
5000722
Name [?]:
trimethyl-[2-(3,4,5-trimethoxyphenyl)ethyl]ammonium
SMILES [?]:
C[N+](C)(C)CCc1cc(c(c(c1)OC)OC)OC
InChi [?]:
InChI=1/C14H24NO3/c1-15(2,3)8-7-11-9-12(16-4)14(18-6)13(10-11)17-5/h9-10H,7-8H2,1-6H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,4,14,18,16,6,5,12,8,7,11,9,10,2,13,17,15/E:(1,2,3)(4,5)(9,10)(12,13)(16,17)/CRV:15+1/rA:18nCN+CCCCCCCCCCOCOCOC/rB:s1;s2;s2;s2;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s10;s15;s9;s17;/rC:;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H24NO3+
All Atoms:18
Heavy Atoms:18
Chiral Atoms:0
ZAP Information [?]
Total:-25.5394
Area:456.904
Solvation:-36.962
Coulombic:6.47137
Bond Count [?]
All:18
Single:15
Double:3
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:254.345
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:0.0
LogP (Chemaxon):-3.15

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Descriptor Annotations

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