2-tert-butyl-4-phenyl-1-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium tetrafluoroborate

Systemtic Name: 2-tert-butyl-4-phenyl-1-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium tetrafluoroborate Openeye Name: 2-tert-butyl-4-phenyl-1-(3-pyridylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium tetrafluoroborate CAS Name: 2-tert-butyl-4-phenyl-1-(3-pyridinylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium tetrafluoroborate IUPAC Name: 2-tert-butyl-4-phenyl-1-(pyridin-3-ylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium tetrafluoroborate Traditional Name: 2-tert-butyl-4-phenyl-1-(3-pyridylmethyl)-5,6-dihydrobenzo[h]quinolin-1-ium tetrafluoroborate Formula: C29H29BF4N2 MolecularWeight: 492.358573

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC(C)(C)C1=[N+](C2=C(CCC3=CC=CC=C32)C(=C1)C4=CC=CC=C4)CC5=CN=CC=C5

Isomeric SMILES

[B-](F)(F)(F)F.CC(C)(C)C1=[N+](C2=C(CCC3=CC=CC=C32)C(=C1)C4=CC=CC=C4)CC5=CN=CC=C5

InChI

InChI=1S/C29H29N2.BF4/c1-29(2,3)27-18-26(22-11-5-4-6-12-22)25-16-15-23-13-7-8-14-24(23)28(25)31(27)20-21-10-9-17-30-19-21;2-1(3,4)5/h4-14,17-19H,15-16,20H2,1-3H3;/q+1;-1