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

Systemtic Name: tert-butyl-[(4-fluorophenyl)methyl]-[[5-(hexylcarbamoyl)furan-2-yl]methyl]azanium Openeye Name: tert-butyl-[(4-fluorophenyl)methyl]-[[5-(hexylcarbamoyl)-2-furyl]methyl]ammonium CAS Name: tert-butyl-[(4-fluorophenyl)methyl]-[[5-[(hexylamino)-oxomethyl]-2-furanyl]methyl]ammonium IUPAC Name: tert-butyl-[(4-fluorophenyl)methyl]-[[5-(hexylcarbamoyl)furan-2-yl]methyl]azanium Traditional Name: tert-butyl-(4-fluorobenzyl)-[[5-(hexylcarbamoyl)-2-furyl]methyl]ammonium Formula: C23H34FN2O2+ MolecularWeight: 389.526663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC=C(C=C2)F)C(C)(C)C

Isomeric SMILES

CCCCCCNC(=O)C1=CC=C(O1)C[NH+](CC2=CC=C(C=C2)F)C(C)(C)C

InChI

InChI=1S/C23H33FN2O2/c1-5-6-7-8-15-25-22(27)21-14-13-20(28-21)17-26(23(2,3)4)16-18-9-11-19(24)12-10-18/h9-14H,5-8,15-17H2,1-4H3,(H,25,27)/p+1