[4-[(3-azanyl-4-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-butyl-ethyl-azanium

Systemtic Name: [4-[(3-azanyl-4-fluoranyl-phenyl)amino]-4-oxidanylidene-butyl]-butyl-ethyl-azanium Openeye Name: [4-(3-amino-4-fluoro-anilino)-4-oxo-butyl]-butyl-ethyl-ammonium CAS Name: [4-(3-amino-4-fluoroanilino)-4-oxobutyl]-butyl-ethylammonium IUPAC Name: [4-(3-amino-4-fluoroanilino)-4-oxobutyl]-butyl-ethylazanium Traditional Name: [4-(3-amino-4-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=CC(=C(C=C1)F)N

Isomeric SMILES

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

InChI

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