[2-[(5-azanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-butyl-methyl-azanium

Systemtic Name: [2-[(5-azanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-butyl-methyl-azanium Openeye Name: [2-(5-amino-2-fluoro-anilino)-2-oxo-ethyl]-butyl-methyl-ammonium CAS Name: [2-(5-amino-2-fluoroanilino)-2-oxoethyl]-butyl-methylammonium IUPAC Name: [2-(5-amino-2-fluoroanilino)-2-oxoethyl]-butyl-methylazanium Traditional Name: [2-(5-amino-2-fluoro-anilino)-2-keto-ethyl]-butyl-methyl-ammonium Formula: C13H21FN3O+ MolecularWeight: 254.323743

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](C)CC(=O)NC1=C(C=CC(=C1)N)F

Isomeric SMILES

CCCC[NH+](C)CC(=O)NC1=C(C=CC(=C1)N)F

InChI

InChI=1S/C13H20FN3O/c1-3-4-7-17(2)9-13(18)16-12-8-10(15)5-6-11(12)14/h5-6,8H,3-4,7,9,15H2,1-2H3,(H,16,18)/p+1