Chemical ID: 6698862

C[NH+](C)CCOC(=O)c1ccc(cc1)C(=O)c2ccccc2
Chemical ID:
6698862
Name [?]:
2-(4-benzoylbenzoyl)oxyethyl-dimethyl-ammonium
SMILES [?]:
C[NH+](C)CCOC(=O)c1ccc(cc1)C(=O)c2ccccc2
InChi [?]:
InChI=1/C18H19NO3/c1-19(2)12-13-22-18(21)16-10-8-15(9-11-16)17(20)14-6-4-3-5-7-14/h3-11H,12-13H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,3,20,19,21,18,22,11,13,10,14,4,5,17,12,9,15,7,2,16,8,6/E:(1,2)(4,5)(6,7)(8,9)(10,11)/rA:22nCN+CCCOCOCCCCCCCOCCCCCC/rB:s1;s2;s2;s4;s5;s6;d7;s7;s9;d10;s11;d12;d9s13;s12;d15;s15;s17;d18;s19;d20;d17s21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C18H20NO3+
All Atoms:22
Heavy Atoms:22
Chiral Atoms:0
ZAP Information [?]
Total:-20.543
Area:525.533
Solvation:-33.6813
Coulombic:-0.738697
Bond Count [?]
All:23
Single:15
Double:8
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:298.356
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:3.36
LogP (Chemaxon):2.79

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Descriptor Annotations

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