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Chemical ID: 5000722
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 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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