(4-aminocarbonyl-2-fluoranyl-phenyl)methyl-pentan-3-yl-azanium

Systemtic Name: (4-aminocarbonyl-2-fluoranyl-phenyl)methyl-pentan-3-yl-azanium Openeye Name: (4-carbamoyl-2-fluoro-phenyl)methyl-(1-ethylpropyl)ammonium CAS Name: (4-carbamoyl-2-fluorophenyl)methyl-pentan-3-ylammonium IUPAC Name: (4-carbamoyl-2-fluorophenyl)methyl-pentan-3-ylazanium Traditional Name: (4-carbamoyl-2-fluoro-benzyl)-(1-ethylpropyl)ammonium Formula: C13H20FN2O+ MolecularWeight: 239.309103

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)[NH2+]CC1=C(C=C(C=C1)C(=O)N)F

Isomeric SMILES

CCC(CC)[NH2+]CC1=C(C=C(C=C1)C(=O)N)F

InChI

InChI=1S/C13H19FN2O/c1-3-11(4-2)16-8-10-6-5-9(13(15)17)7-12(10)14/h5-7,11,16H,3-4,8H2,1-2H3,(H2,15,17)/p+1