2-(3-methylimidazol-3-ium-1-yl)ethyl 6-azanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate tetrafluoroborate

Systemtic Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-azanyl-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate tetrafluoroborate Openeye Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate tetrafluoroborate CAS Name: 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-(3-methyl-1-imidazol-3-iumyl)ethyl ester tetrafluoroborate IUPAC Name: 2-(3-methylimidazol-3-ium-1-yl)ethyl 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylate tetrafluoroborate Traditional Name: 6-amino-4-(4-chlorophenyl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid 2-(3-methylimidazol-3-ium-1-yl)ethyl ester tetrafluoroborate Formula: C20H20BClF4N4O3 MolecularWeight: 486.655413

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Cl)C(=O)OCCN3C=C[N+](=C3)C

Isomeric SMILES

[B-](F)(F)(F)F.CC1=C(C(C(=C(O1)N)C#N)C2=CC=C(C=C2)Cl)C(=O)OCCN3C=C[N+](=C3)C

InChI

InChI=1S/C20H20ClN4O3.BF4/c1-13-17(20(26)27-10-9-25-8-7-24(2)12-25)18(16(11-22)19(23)28-13)14-3-5-15(21)6-4-14;2-1(3,4)5/h3-8,12,18H,9-10,23H2,1-2H3;/q+1;-1