[(2S)-1-[(3-fluorophenyl)methylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium

Systemtic Name: [(2S)-1-[(3-fluorophenyl)methylamino]-4-methyl-1-oxidanylidene-pentan-2-yl]azanium Openeye Name: [(1S)-1-[(3-fluorophenyl)methylcarbamoyl]-3-methyl-butyl]ammonium CAS Name: [(2S)-1-[(3-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]ammonium IUPAC Name: [(2S)-1-[(3-fluorophenyl)methylamino]-4-methyl-1-oxopentan-2-yl]azanium Traditional Name: [(1S)-1-[(3-fluorobenzyl)carbamoyl]-3-methyl-butyl]ammonium Formula: C13H20FN2O+ MolecularWeight: 239.309103

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC(=CC=C1)F)[NH3+]

Isomeric SMILES

CC(C)C[C@@H](C(=O)NCC1=CC(=CC=C1)F)[NH3+]

InChI

InChI=1S/C13H19FN2O/c1-9(2)6-12(15)13(17)16-8-10-4-3-5-11(14)7-10/h3-5,7,9,12H,6,8,15H2,1-2H3,(H,16,17)/p+1/t12-/m0/s1