[azanyl-[3-fluoranyl-4-[[(2S)-4-methylpentan-2-yl]oxymethyl]phenyl]methylidene]azanium

Systemtic Name: [azanyl-[3-fluoranyl-4-[[(2S)-4-methylpentan-2-yl]oxymethyl]phenyl]methylidene]azanium Openeye Name: [amino-[4-[[(1S)-1,3-dimethylbutoxy]methyl]-3-fluoro-phenyl]methylene]ammonium CAS Name: [amino-[3-fluoro-4-[[(2S)-4-methylpentan-2-yl]oxymethyl]phenyl]methylidene]ammonium IUPAC Name: [amino-[3-fluoro-4-[[(2S)-4-methylpentan-2-yl]oxymethyl]phenyl]methylidene]azanium Traditional Name: [amino-[4-[[(1S)-1,3-dimethylbutoxy]methyl]-3-fluoro-phenyl]methylene]ammonium Formula: C14H22FN2O+ MolecularWeight: 253.335683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C)OCC1=C(C=C(C=C1)C(=[NH2+])N)F

Isomeric SMILES

C[C@@H](CC(C)C)OCC1=C(C=C(C=C1)C(=[NH2+])N)F

InChI

InChI=1S/C14H21FN2O/c1-9(2)6-10(3)18-8-12-5-4-11(14(16)17)7-13(12)15/h4-5,7,9-10H,6,8H2,1-3H3,(H3,16,17)/p+1/t10-/m0/s1