[4-[(5-azanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-butyl-ethyl-azanium

Systemtic Name: [4-[(5-azanyl-2-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-butyl-ethyl-azanium Openeye Name: [4-(5-amino-2-fluoro-anilino)-4-oxo-butyl]-butyl-ethyl-ammonium CAS Name: [4-(5-amino-2-fluoroanilino)-4-oxobutyl]-butyl-ethylammonium IUPAC Name: [4-(5-amino-2-fluoroanilino)-4-oxobutyl]-butyl-ethylazanium Traditional Name: [4-(5-amino-2-fluoro-anilino)-4-keto-butyl]-butyl-ethyl-ammonium Formula: C16H27FN3O+ MolecularWeight: 296.403483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26FN3O/c1-3-5-10-20(4-2)11-6-7-16(21)19-15-12-13(18)8-9-14(15)17/h8-9,12H,3-7,10-11,18H2,1-2H3,(H,19,21)/p+1