[2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-dibutyl-azanium

Systemtic Name: [2-[(3-azanyl-4-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-dibutyl-azanium Openeye Name: [2-(3-amino-4-fluoro-anilino)-2-oxo-ethyl]-dibutyl-ammonium CAS Name: [2-(3-amino-4-fluoroanilino)-2-oxoethyl]-dibutylammonium IUPAC Name: [2-(3-amino-4-fluoroanilino)-2-oxoethyl]-dibutylazanium Traditional Name: [2-(3-amino-4-fluoro-anilino)-2-keto-ethyl]-dibutyl-ammonium Formula: C16H27FN3O+ MolecularWeight: 296.403483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H26FN3O/c1-3-5-9-20(10-6-4-2)12-16(21)19-13-7-8-14(17)15(18)11-13/h7-8,11H,3-6,9-10,12,18H2,1-2H3,(H,19,21)/p+1