[(2R)-1-[(3-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-propan-2-yl-azanium

Systemtic Name: [(2R)-1-[(3-azanyl-4-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-methyl-propan-2-yl-azanium Openeye Name: [(1R)-2-(3-amino-4-fluoro-anilino)-1-methyl-2-oxo-ethyl]-isopropyl-methyl-ammonium CAS Name: [(2R)-1-(3-amino-4-fluoroanilino)-1-oxopropan-2-yl]-methyl-propan-2-ylammonium IUPAC Name: [(2R)-1-(3-amino-4-fluoroanilino)-1-oxopropan-2-yl]-methyl-propan-2-ylazanium Traditional Name: [(1R)-2-(3-amino-4-fluoro-anilino)-2-keto-1-methyl-ethyl]-isopropyl-methyl-ammonium Formula: C13H21FN3O+ MolecularWeight: 254.323743

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20FN3O/c1-8(2)17(4)9(3)13(18)16-10-5-6-11(14)12(15)7-10/h5-9H,15H2,1-4H3,(H,16,18)/p+1/t9-/m1/s1