4,4-diphenylbutyl-bis(4-methylpentyl)azanium chloride

Systemtic Name: 4,4-diphenylbutyl-bis(4-methylpentyl)azanium chloride Openeye Name: 4,4-diphenylbutyl(diisohexyl)ammonium chloride CAS Name: 4,4-diphenylbutyl-bis(4-methylpentyl)ammonium chloride IUPAC Name: 4,4-diphenylbutyl-bis(4-methylpentyl)azanium chloride Traditional Name: 4,4-diphenylbutyl(diisohexyl)ammonium chloride Formula: C28H44ClN MolecularWeight: 430.10866

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC[NH+](CCCC(C)C)CCCC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

Isomeric SMILES

CC(C)CCC[NH+](CCCC(C)C)CCCC(C1=CC=CC=C1)C2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C28H43N.ClH/c1-24(2)14-11-21-29(22-12-15-25(3)4)23-13-20-28(26-16-7-5-8-17-26)27-18-9-6-10-19-27;/h5-10,16-19,24-25,28H,11-15,20-23H2,1-4H3;1H