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

Systemtic Name: [2-[(5-azanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl]-butyl-ethyl-azanium Openeye Name: [2-(5-amino-2-fluoro-anilino)-2-oxo-ethyl]-butyl-ethyl-ammonium CAS Name: [2-(5-amino-2-fluoroanilino)-2-oxoethyl]-butyl-ethylammonium IUPAC Name: [2-(5-amino-2-fluoroanilino)-2-oxoethyl]-butyl-ethylazanium Traditional Name: [2-(5-amino-2-fluoro-anilino)-2-keto-ethyl]-butyl-ethyl-ammonium Formula: C14H23FN3O+ MolecularWeight: 268.350323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FN3O/c1-3-5-8-18(4-2)10-14(19)17-13-9-11(16)6-7-12(13)15/h6-7,9H,3-5,8,10,16H2,1-2H3,(H,17,19)/p+1