(3-ethoxycarbonylphenyl)-(4-fluorophenyl)-(5-methylfuran-3-yl)carbonyl-(phenylmethyl)azanium

Systemtic Name: (3-ethoxycarbonylphenyl)-(4-fluorophenyl)-(5-methylfuran-3-yl)carbonyl-(phenylmethyl)azanium Openeye Name: benzyl-(3-ethoxycarbonylphenyl)-(4-fluorophenyl)-(5-methylfuran-3-carbonyl)ammonium CAS Name: (3-ethoxycarbonylphenyl)-(4-fluorophenyl)-[(5-methyl-3-furanyl)-oxomethyl]-(phenylmethyl)ammonium IUPAC Name: benzyl-(3-ethoxycarbonylphenyl)-(4-fluorophenyl)-(5-methylfuran-3-carbonyl)azanium Traditional Name: benzyl-(3-carbethoxyphenyl)-(4-fluorophenyl)-(5-methyl-3-furoyl)ammonium Formula: C28H25FNO4+ MolecularWeight: 458.500803

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)[N+](CC2=CC=CC=C2)(C3=CC=C(C=C3)F)C(=O)C4=COC(=C4)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)[N+](CC2=CC=CC=C2)(C3=CC=C(C=C3)F)C(=O)C4=COC(=C4)C

InChI

InChI=1S/C28H25FNO4/c1-3-33-28(32)22-10-7-11-26(17-22)30(18-21-8-5-4-6-9-21,25-14-12-24(29)13-15-25)27(31)23-16-20(2)34-19-23/h4-17,19H,3,18H2,1-2H3/q+1