(3-fluorophenyl)-[(2S)-1-oxidanylidene-1-[(phenylmethyl)-propan-2-yl-amino]propan-2-yl]azanium

Systemtic Name: (3-fluorophenyl)-[(2S)-1-oxidanylidene-1-[(phenylmethyl)-propan-2-yl-amino]propan-2-yl]azanium Openeye Name: [(1S)-2-[benzyl(isopropyl)amino]-1-methyl-2-oxo-ethyl]-(3-fluorophenyl)ammonium CAS Name: (3-fluorophenyl)-[(2S)-1-oxo-1-[(phenylmethyl)-propan-2-ylamino]propan-2-yl]ammonium IUPAC Name: [(2S)-1-[benzyl(propan-2-yl)amino]-1-oxopropan-2-yl]-(3-fluorophenyl)azanium Traditional Name: [(1S)-2-[benzyl(isopropyl)amino]-2-keto-1-methyl-ethyl]-(3-fluorophenyl)ammonium Formula: C19H24FN2O+ MolecularWeight: 315.405063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(CC1=CC=CC=C1)C(=O)C(C)[NH2+]C2=CC(=CC=C2)F

Isomeric SMILES

C[C@@H](C(=O)N(CC1=CC=CC=C1)C(C)C)[NH2+]C2=CC(=CC=C2)F

InChI

InChI=1S/C19H23FN2O/c1-14(2)22(13-16-8-5-4-6-9-16)19(23)15(3)21-18-11-7-10-17(20)12-18/h4-12,14-15,21H,13H2,1-3H3/p+1/t15-/m0/s1