2-carboxyethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate

Systemtic Name: 2-carboxyethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate Openeye Name: 2-carboxyethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium tetrafluoroborate CAS Name: 2-carboxyethyl-[6-ethyl-2-(4-methoxyphenyl)-1-benzopyran-4-ylidene]ammonium tetrafluoroborate IUPAC Name: 2-carboxyethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]azanium tetrafluoroborate Traditional Name: 2-carboxyethyl-[6-ethyl-2-(4-methoxyphenyl)chromen-4-ylidene]ammonium tetrafluoroborate Formula: C21H22BF4NO4 MolecularWeight: 439.208293

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCC1=CC2=C(C=C1)OC(=CC2=[NH+]CCC(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

[B-](F)(F)(F)F.CCC1=CC2=C(C=C1)OC(=CC2=[NH+]CCC(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21NO4.BF4/c1-3-14-4-9-19-17(12-14)18(22-11-10-21(23)24)13-20(26-19)15-5-7-16(25-2)8-6-15;2-1(3,4)5/h4-9,12-13H,3,10-11H2,1-2H3,(H,23,24);/q;-1/p+1