[4-[[dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octyl-azanium

Systemtic Name: [4-[[dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octyl-azanium Openeye Name: [4-[[dimethyl(octyl)ammonio]methyl]phenyl]methyl-dimethyl-octyl-ammonium CAS Name: [4-[[dimethyl(octyl)ammonio]methyl]phenyl]methyl-dimethyl-octylammonium IUPAC Name: [4-[[dimethyl(octyl)azaniumyl]methyl]phenyl]methyl-dimethyl-octylazanium Traditional Name: [4-[[dimethyl(octyl)ammonio]methyl]benzyl]-dimethyl-octyl-ammonium Formula: C28H54N2+2 MolecularWeight: 418.74176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCC

Isomeric SMILES

CCCCCCCC[N+](C)(C)CC1=CC=C(C=C1)C[N+](C)(C)CCCCCCCC

InChI

InChI=1S/C28H54N2/c1-7-9-11-13-15-17-23-29(3,4)25-27-19-21-28(22-20-27)26-30(5,6)24-18-16-14-12-10-8-2/h19-22H,7-18,23-26H2,1-6H3/q+2