[7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl-[(4-fluorophenyl)methyl]-methyl-azanium

Systemtic Name: [7-(ethoxycarbonylamino)-2-oxidanylidene-chromen-4-yl]methyl-[(4-fluorophenyl)methyl]-methyl-azanium Openeye Name: [7-(ethoxycarbonylamino)-2-oxo-chromen-4-yl]methyl-[(4-fluorophenyl)methyl]-methyl-ammonium CAS Name: [7-(ethoxycarbonylamino)-2-oxo-1-benzopyran-4-yl]methyl-[(4-fluorophenyl)methyl]-methylammonium IUPAC Name: [7-(ethoxycarbonylamino)-2-oxochromen-4-yl]methyl-[(4-fluorophenyl)methyl]-methylazanium Traditional Name: [7-(carbethoxyamino)-2-keto-chromen-4-yl]methyl-(4-fluorobenzyl)-methyl-ammonium Formula: C21H22FN2O4+ MolecularWeight: 385.408783

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=C(C=C3)F

Isomeric SMILES

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)C[NH+](C)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H21FN2O4/c1-3-27-21(26)23-17-8-9-18-15(10-20(25)28-19(18)11-17)13-24(2)12-14-4-6-16(22)7-5-14/h4-11H,3,12-13H2,1-2H3,(H,23,26)/p+1