ethyl-(2-methylpentyl)-phenyl-azanium; tetraheptylboranuide

Systemtic Name: ethyl-(2-methylpentyl)-phenyl-azanium; tetraheptylboranuide Openeye Name: ethyl-(2-methylpentyl)-phenyl-ammonium; tetraheptylboranuide CAS Name: ethyl-(2-methylpentyl)-phenylammonium; tetraheptylboranuide IUPAC Name: ethyl-(2-methylpentyl)-phenylazanium; tetraheptylboranuide Traditional Name: ethyl-(2-methylpentyl)-phenyl-ammonium; tetraheptylboranuide Formula: C42H84BN MolecularWeight: 613.93406

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Descriptors Computed from Structure

Canonical SMILES:

[B-](CCCCCCC)(CCCCCCC)(CCCCCCC)CCCCCCC.CCCC(C)C[NH+](CC)C1=CC=CC=C1

Isomeric SMILES

[B-](CCCCCCC)(CCCCCCC)(CCCCCCC)CCCCCCC.CCCC(C)C[NH+](CC)C1=CC=CC=C1

InChI

InChI=1S/C28H60B.C14H23N/c1-5-9-13-17-21-25-29(26-22-18-14-10-6-2,27-23-19-15-11-7-3)28-24-20-16-12-8-4;1-4-9-13(3)12-15(5-2)14-10-7-6-8-11-14/h5-28H2,1-4H3;6-8,10-11,13H,4-5,9,12H2,1-3H3/q-1;/p+1