(6-chloranyl-2-phenyl-chromen-4-ylidene)-(pyridin-3-ylmethyl)azanium tetrafluoroborate

Systemtic Name: (6-chloranyl-2-phenyl-chromen-4-ylidene)-(pyridin-3-ylmethyl)azanium tetrafluoroborate Openeye Name: (6-chloro-2-phenyl-chromen-4-ylidene)-(3-pyridylmethyl)ammonium tetrafluoroborate CAS Name: (6-chloro-2-phenyl-1-benzopyran-4-ylidene)-(3-pyridinylmethyl)ammonium tetrafluoroborate IUPAC Name: (6-chloro-2-phenylchromen-4-ylidene)-(pyridin-3-ylmethyl)azanium tetrafluoroborate Traditional Name: (6-chloro-2-phenyl-chromen-4-ylidene)-(3-pyridylmethyl)ammonium tetrafluoroborate Formula: C21H16BClF4N2O MolecularWeight: 434.622153

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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=C(O2)C=CC(=C4)Cl

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[NH+]CC3=CN=CC=C3)C4=C(O2)C=CC(=C4)Cl

InChI

InChI=1S/C21H15ClN2O.BF4/c22-17-8-9-20-18(11-17)19(24-14-15-5-4-10-23-13-15)12-21(25-20)16-6-2-1-3-7-16;2-1(3,4)5/h1-13H,14H2;/q;-1/p+1