1-tert-butyl-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate

Systemtic Name: 1-tert-butyl-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Openeye Name: 1-tert-butyl-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate CAS Name: 1-tert-butyl-3-(2,6-ditert-butyl-4-pyranylidene)pyrrol-1-ium tetrafluoroborate IUPAC Name: 1-tert-butyl-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Traditional Name: 1-tert-butyl-3-(2,6-ditert-butylpyran-4-ylidene)pyrrol-1-ium tetrafluoroborate Formula: C21H32BF4NO MolecularWeight: 401.289493

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C=C[N+](=C2)C(C)(C)C)C=C(O1)C(C)(C)C

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=CC(=C2C=C[N+](=C2)C(C)(C)C)C=C(O1)C(C)(C)C

InChI

InChI=1S/C21H32NO.BF4/c1-19(2,3)17-12-16(13-18(23-17)20(4,5)6)15-10-11-22(14-15)21(7,8)9;2-1(3,4)5/h10-14H,1-9H3;/q+1;-1