3-methylbutyl-dioctyl-(2-phenylprop-2-enyl)azanium

Systemtic Name: 3-methylbutyl-dioctyl-(2-phenylprop-2-enyl)azanium Openeye Name: isopentyl-dioctyl-(2-phenylallyl)ammonium CAS Name: 3-methylbutyl-dioctyl-(2-phenylprop-2-enyl)ammonium IUPAC Name: 3-methylbutyl-dioctyl-(2-phenylprop-2-enyl)azanium Traditional Name: isoamyl-dioctyl-(2-phenylallyl)ammonium Formula: C30H54N+ MolecularWeight: 428.75646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](CCCCCCCC)(CCC(C)C)CC(=C)C1=CC=CC=C1

Isomeric SMILES

CCCCCCCC[N+](CCCCCCCC)(CCC(C)C)CC(=C)C1=CC=CC=C1

InChI

InChI=1S/C30H54N/c1-6-8-10-12-14-19-24-31(26-23-28(3)4,25-20-15-13-11-9-7-2)27-29(5)30-21-17-16-18-22-30/h16-18,21-22,28H,5-15,19-20,23-27H2,1-4H3/q+1