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

Systemtic Name: tert-butyl-[(2-fluorophenyl)methyl]-[[5-(furan-2-ylmethylcarbamoyl)furan-2-yl]methyl]azanium Openeye Name: tert-butyl-[(2-fluorophenyl)methyl]-[[5-(2-furylmethylcarbamoyl)-2-furyl]methyl]ammonium CAS Name: tert-butyl-[(2-fluorophenyl)methyl]-[[5-[(2-furanylmethylamino)-oxomethyl]-2-furanyl]methyl]ammonium IUPAC Name: tert-butyl-[(2-fluorophenyl)methyl]-[[5-(furan-2-ylmethylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: tert-butyl-(2-fluorobenzyl)-[[5-(2-furfurylcarbamoyl)-2-furyl]methyl]ammonium Formula: C22H26FN2O3+ MolecularWeight: 385.451843

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH+](CC1=CC=CC=C1F)CC2=CC=C(O2)C(=O)NCC3=CC=CO3

Isomeric SMILES

CC(C)(C)[NH+](CC1=CC=CC=C1F)CC2=CC=C(O2)C(=O)NCC3=CC=CO3

InChI

InChI=1S/C22H25FN2O3/c1-22(2,3)25(14-16-7-4-5-9-19(16)23)15-18-10-11-20(28-18)21(26)24-13-17-8-6-12-27-17/h4-12H,13-15H2,1-3H3,(H,24,26)/p+1