[5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[(4-fluorophenyl)methyl]azanium

Systemtic Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[(4-fluorophenyl)methyl]azanium Openeye Name: [5-(4-ethoxycarbonylphenyl)-2-furyl]methyl-[(4-fluorophenyl)methyl]ammonium CAS Name: [5-(4-ethoxycarbonylphenyl)-2-furanyl]methyl-[(4-fluorophenyl)methyl]ammonium IUPAC Name: [5-(4-ethoxycarbonylphenyl)furan-2-yl]methyl-[(4-fluorophenyl)methyl]azanium Traditional Name: [5-(4-carbethoxyphenyl)-2-furyl]methyl-(4-fluorobenzyl)ammonium Formula: C21H21FNO3+ MolecularWeight: 354.394743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C[NH2+]CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H20FNO3/c1-2-25-21(24)17-7-5-16(6-8-17)20-12-11-19(26-20)14-23-13-15-3-9-18(22)10-4-15/h3-12,23H,2,13-14H2,1H3/p+1