(2-phenylchromen-4-ylidene)-(pyridin-3-ylmethyl)azanium tetrafluoroborate

Systemtic Name: (2-phenylchromen-4-ylidene)-(pyridin-3-ylmethyl)azanium tetrafluoroborate Openeye Name: (2-phenylchromen-4-ylidene)-(3-pyridylmethyl)ammonium tetrafluoroborate CAS Name: (2-phenyl-1-benzopyran-4-ylidene)-(3-pyridinylmethyl)ammonium tetrafluoroborate IUPAC Name: (2-phenylchromen-4-ylidene)-(pyridin-3-ylmethyl)azanium tetrafluoroborate Traditional Name: (2-phenylchromen-4-ylidene)-(3-pyridylmethyl)ammonium tetrafluoroborate Formula: C21H17BF4N2O MolecularWeight: 400.177093

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]CC3=CN=CC=C3)C4=CC=CC=C4O2

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]CC3=CN=CC=C3)C4=CC=CC=C4O2

InChI

InChI=1S/C21H16N2O.BF4/c1-2-8-17(9-3-1)21-13-19(18-10-4-5-11-20(18)24-21)23-15-16-7-6-12-22-14-16;2-1(3,4)5/h1-14H,15H2;/q;-1/p+1