[3-fluoranyl-4-(2-propan-2-ylimidazol-1-yl)phenyl]methylazanium

Systemtic Name: [3-fluoranyl-4-(2-propan-2-ylimidazol-1-yl)phenyl]methylazanium Openeye Name: [3-fluoro-4-(2-isopropylimidazol-1-yl)phenyl]methylammonium CAS Name: [3-fluoro-4-(2-propan-2-yl-1-imidazolyl)phenyl]methylammonium IUPAC Name: [3-fluoro-4-(2-propan-2-ylimidazol-1-yl)phenyl]methylazanium Traditional Name: [3-fluoro-4-(2-isopropylimidazol-1-yl)benzyl]ammonium Formula: C13H17FN3+ MolecularWeight: 234.292583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1C2=C(C=C(C=C2)C[NH3+])F

Isomeric SMILES

CC(C)C1=NC=CN1C2=C(C=C(C=C2)C[NH3+])F

InChI

InChI=1S/C13H16FN3/c1-9(2)13-16-5-6-17(13)12-4-3-10(8-15)7-11(12)14/h3-7,9H,8,15H2,1-2H3/p+1