Synonyms
MFCD28400093;1,3-Bis(2,4,6-trimethylphenyl)imidazolium bicarbonate;1372124-93-0;
IUPAC Name
1,3-bis(2,4,6-trimethylphenyl)imidazol-1-ium;hydrogen carbonate;
Molecular Weight
366.461g/mol
Molecular Formula
C22H26N2O3;
Canonical SMILES
CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)C3=C(C=C(C=C3C)C)C)C.C(=O)(O)[O-];
InChI
InChI=1S/C21H25N2.CH₂O3/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;2-1(3)4/h7-13H,1-6H3;(H2,2,3,4)/q+1;/p-1;
InChI Key
XLNGZTAIJOOIFH-UHFFFAOYSA-M;
Complexity
360
Covalently-Bonded Unit Count
2
Exact Mass
366.194g/mol
H-Bond Acceptor
3
H-Bond Donor
1
Heavy Atom Count
27
Monoisotopic Mass
366.194g/mol
Rotatable Bond Count
2
Topological Polar Surface Area
69.2A^2
