tert-butyl-[(4-fluorophenyl)methyl]-[[5-(phenethylcarbamoyl)furan-2-yl]methyl]azanium

Systemtic Name: tert-butyl-[(4-fluorophenyl)methyl]-[[5-(phenethylcarbamoyl)furan-2-yl]methyl]azanium Openeye Name: tert-butyl-[(4-fluorophenyl)methyl]-[[5-(phenethylcarbamoyl)-2-furyl]methyl]ammonium CAS Name: tert-butyl-[(4-fluorophenyl)methyl]-[[5-[oxo-(phenethylamino)methyl]-2-furanyl]methyl]ammonium IUPAC Name: tert-butyl-[(4-fluorophenyl)methyl]-[[5-(phenethylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: tert-butyl-(4-fluorobenzyl)-[[5-(phenethylcarbamoyl)-2-furyl]methyl]ammonium Formula: C25H30FN2O2+ MolecularWeight: 409.516303

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC1=CC=C(C=C1)F)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)[NH+](CC1=CC=C(C=C1)F)CC2=CC=C(O2)C(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C25H29FN2O2/c1-25(2,3)28(17-20-9-11-21(26)12-10-20)18-22-13-14-23(30-22)24(29)27-16-15-19-7-5-4-6-8-19/h4-14H,15-18H2,1-3H3,(H,27,29)/p+1