1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium tetrafluoroborate

Systemtic Name: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium tetrafluoroborate Openeye Name: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium tetrafluoroborate CAS Name: 1-(9-butoxy-1-phenalenylidene)pyrrolidin-1-ium tetrafluoroborate IUPAC Name: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium tetrafluoroborate Traditional Name: 1-(9-butoxyphenalen-1-ylidene)pyrrolidin-1-ium tetrafluoroborate Formula: C21H24BF4NO MolecularWeight: 393.225973

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CCCCOC1=C2C(=[N+]3CCCC3)C=CC4=CC=CC(=C42)C=C1

Isomeric SMILES

[B-](F)(F)(F)F.CCCCOC1=C2C(=[N+]3CCCC3)C=CC4=CC=CC(=C42)C=C1

InChI

InChI=1S/C21H24NO.BF4/c1-2-3-15-23-19-12-10-17-8-6-7-16-9-11-18(21(19)20(16)17)22-13-4-5-14-22;2-1(3,4)5/h6-12H,2-5,13-15H2,1H3;/q+1;-1