3-[2-[(4-fluorophenyl)carbonylamino]ethanoylamino]propyl-methyl-(phenylmethyl)azanium

Systemtic Name: 3-[2-[(4-fluorophenyl)carbonylamino]ethanoylamino]propyl-methyl-(phenylmethyl)azanium Openeye Name: benzyl-[3-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]propyl]-methyl-ammonium CAS Name: 3-[[2-[[(4-fluorophenyl)-oxomethyl]amino]-1-oxoethyl]amino]propyl-methyl-(phenylmethyl)ammonium IUPAC Name: benzyl-[3-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]propyl]-methylazanium Traditional Name: benzyl-[3-[[2-[(4-fluorobenzoyl)amino]acetyl]amino]propyl]-methyl-ammonium Formula: C20H25FN3O2+ MolecularWeight: 358.429803

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FN3O2/c1-24(15-16-6-3-2-4-7-16)13-5-12-22-19(25)14-23-20(26)17-8-10-18(21)11-9-17/h2-4,6-11H,5,12-15H2,1H3,(H,22,25)(H,23,26)/p+1