Chemical ID: 6334705

C[N+](C)(C)CCOc1ccccc1
Chemical ID:
6334705
Name [?]:
trimethyl-(2-phenoxyethyl)ammonium
SMILES [?]:
C[N+](C)(C)CCOc1ccccc1
InChi [?]:
InChI=1/C11H18NO/c1-12(2,3)9-10-13-11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3/q+1
InChi Info:
AuxInfo=1/0/N:1,3,4,11,10,12,9,13,5,6,8,2,7/E:(1,2,3)(5,6)(7,8)/CRV:12+1/rA:13nCN+CCCCOCCCCCC/rB:s1;s2;s2;s2;s5;s6;s7;s8;d9;s10;d11;d8s12;/rC:;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H18NO+
All Atoms:13
Heavy Atoms:13
Chiral Atoms:0
ZAP Information [?]
Total:-19.8026
Area:356.557
Solvation:-28.7165
Coulombic:14.2429
Bond Count [?]
All:13
Single:10
Double:3
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:180.267
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:0.52
LogP (Chemaxon):-2.8

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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