3-methyl-2-(2-phenylethynyl)-1-(3-phenylprop-2-ynyl)-2,3-dihydro-1H-indol-1-ium tetrafluoroborate

Systemtic Name: 3-methyl-2-(2-phenylethynyl)-1-(3-phenylprop-2-ynyl)-2,3-dihydro-1H-indol-1-ium tetrafluoroborate Openeye Name: 3-methyl-2-(2-phenylethynyl)-1-(3-phenylprop-2-ynyl)indolin-1-ium tetrafluoroborate CAS Name: 3-methyl-2-(2-phenylethynyl)-1-(3-phenylprop-2-ynyl)-2,3-dihydro-1H-indol-1-ium tetrafluoroborate IUPAC Name: 3-methyl-2-(2-phenylethynyl)-1-(3-phenylprop-2-ynyl)-2,3-dihydro-1H-indol-1-ium tetrafluoroborate Traditional Name: 3-methyl-2-(2-phenylethynyl)-1-(3-phenylprop-2-ynyl)indolin-1-ium tetrafluoroborate Formula: C26H22BF4N MolecularWeight: 435.264193

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1C([NH+](C2=CC=CC=C12)CC#CC3=CC=CC=C3)C#CC4=CC=CC=C4

Isomeric SMILES

[B-](F)(F)(F)F.CC1C([NH+](C2=CC=CC=C12)CC#CC3=CC=CC=C3)C#CC4=CC=CC=C4

InChI

InChI=1S/C26H21N.BF4/c1-21-24-16-8-9-17-26(24)27(20-10-15-22-11-4-2-5-12-22)25(21)19-18-23-13-6-3-7-14-23;2-1(3,4)5/h2-9,11-14,16-17,21,25H,20H2,1H3;/q;-1/p+1