bis(2-methylpropyl)-(2-phenylchromenylium-4-yl)azanium tetrafluoroborate

Systemtic Name: bis(2-methylpropyl)-(2-phenylchromenylium-4-yl)azanium tetrafluoroborate Openeye Name: diisobutyl-(2-phenylchromenylium-4-yl)ammonium tetrafluoroborate CAS Name: bis(2-methylpropyl)-(2-phenyl-1-benzopyrylium-4-yl)ammonium tetrafluoroborate IUPAC Name: bis(2-methylpropyl)-(2-phenylchromenylium-4-yl)azanium tetrafluoroborate Traditional Name: diisobutyl-(2-phenyl-1-benzopyrylium-4-yl)ammonium tetrafluoroborate Formula: C23H29BF4NO+ MolecularWeight: 422.287073

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)C[NH+](CC(C)C)C1=CC(=[O+]C2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)C[NH+](CC(C)C)C1=CC(=[O+]C2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C23H28NO.BF4/c1-17(2)15-24(16-18(3)4)21-14-23(19-10-6-5-7-11-19)25-22-13-9-8-12-20(21)22;2-1(3,4)5/h5-14,17-18H,15-16H2,1-4H3;/q+1;-1/p+1