(3-fluorophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium

Systemtic Name: (3-fluorophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxidanylidene-1-phenyl-ethyl]azanium Openeye Name: (3-fluorophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenyl-ethyl]ammonium CAS Name: (3-fluorophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]ammonium IUPAC Name: (3-fluorophenyl)methyl-methyl-[(1S)-2-(methylcarbamoylamino)-2-oxo-1-phenylethyl]azanium Traditional Name: (3-fluorobenzyl)-[(1S)-2-keto-2-(methylcarbamoylamino)-1-phenyl-ethyl]-methyl-ammonium Formula: C18H21FN3O2+ MolecularWeight: 330.376643

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)C(C1=CC=CC=C1)[NH+](C)CC2=CC(=CC=C2)F

Isomeric SMILES

CNC(=O)NC(=O)[C@H](C1=CC=CC=C1)[NH+](C)CC2=CC(=CC=C2)F

InChI

InChI=1S/C18H20FN3O2/c1-20-18(24)21-17(23)16(14-8-4-3-5-9-14)22(2)12-13-7-6-10-15(19)11-13/h3-11,16H,12H2,1-2H3,(H2,20,21,23,24)/p+1/t16-/m0/s1