[(2R)-1-[(5-azanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-butyl-methyl-azanium

Systemtic Name: [(2R)-1-[(5-azanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-butyl-methyl-azanium Openeye Name: [(1R)-2-(5-amino-2-fluoro-anilino)-1-methyl-2-oxo-ethyl]-butyl-methyl-ammonium CAS Name: [(2R)-1-(5-amino-2-fluoroanilino)-1-oxopropan-2-yl]-butyl-methylammonium IUPAC Name: [(2R)-1-(5-amino-2-fluoroanilino)-1-oxopropan-2-yl]-butyl-methylazanium Traditional Name: [(1R)-2-(5-amino-2-fluoro-anilino)-2-keto-1-methyl-ethyl]-butyl-methyl-ammonium Formula: C14H23FN3O+ MolecularWeight: 268.350323

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H22FN3O/c1-4-5-8-18(3)10(2)14(19)17-13-9-11(16)6-7-12(13)15/h6-7,9-10H,4-5,8,16H2,1-3H3,(H,17,19)/p+1/t10-/m1/s1