(4-cyano-2-fluoranyl-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: (4-cyano-2-fluoranyl-phenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: (4-cyano-2-fluoro-phenyl)methyl-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: (4-cyano-2-fluorophenyl)methyl-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: (4-cyano-2-fluorophenyl)methyl-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: (4-cyano-2-fluoro-benzyl)-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C12H16FN2O+ MolecularWeight: 223.266643

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH2+]CC1=C(C=C(C=C1)C#N)F

Isomeric SMILES

C[C@@H](COC)[NH2+]CC1=C(C=C(C=C1)C#N)F

InChI

InChI=1S/C12H15FN2O/c1-9(8-16-2)15-7-11-4-3-10(6-14)5-12(11)13/h3-5,9,15H,7-8H2,1-2H3/p+1/t9-/m0/s1