3-ethylheptyl-(2-methylpentyl)-phenyl-azanium; tetraheptylalumanuide

Systemtic Name: 3-ethylheptyl-(2-methylpentyl)-phenyl-azanium; tetraheptylalumanuide Openeye Name: 3-ethylheptyl-(2-methylpentyl)-phenyl-ammonium; tetraheptylalumanuide CAS Name: 3-ethylheptyl-(2-methylpentyl)-phenylammonium; tetraheptylalumanuide IUPAC Name: 3-ethylheptyl-(2-methylpentyl)-phenylazanium; tetraheptylalumanuide Traditional Name: 3-ethylheptyl-(2-methylpentyl)-phenyl-ammonium; tetraheptylalumanuide Formula: C49H98AlN MolecularWeight: 728.290658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC[Al-](CCCCCCC)(CCCCCCC)CCCCCCC.CCCCC(CC)CC[NH+](CC(C)CCC)C1=CC=CC=C1

Isomeric SMILES

CCCCCCC[Al-](CCCCCCC)(CCCCCCC)CCCCCCC.CCCCC(CC)CC[NH+](CC(C)CCC)C1=CC=CC=C1

InChI

InChI=1S/C21H37N.4C7H15.Al/c1-5-8-13-20(7-3)16-17-22(18-19(4)12-6-2)21-14-10-9-11-15-21;4*1-3-5-7-6-4-2;/h9-11,14-15,19-20H,5-8,12-13,16-18H2,1-4H3;4*1,3-7H2,2H3;/q;;;;;-1/p+1