hexyl-[[3-[(hexyl-methyl-octyl-azaniumyl)methyl]-2,4,6-trimethyl-phenyl]methyl]-methyl-octyl-azanium

Systemtic Name: hexyl-[[3-[(hexyl-methyl-octyl-azaniumyl)methyl]-2,4,6-trimethyl-phenyl]methyl]-methyl-octyl-azanium Openeye Name: hexyl-[[3-[(hexyl-methyl-octyl-ammonio)methyl]-2,4,6-trimethyl-phenyl]methyl]-methyl-octyl-ammonium CAS Name: hexyl-[[3-[(hexyl-methyl-octylammonio)methyl]-2,4,6-trimethylphenyl]methyl]-methyl-octylammonium IUPAC Name: hexyl-[[3-[(hexyl-methyl-octylazaniumyl)methyl]-2,4,6-trimethylphenyl]methyl]-methyl-octylazanium Traditional Name: hexyl-[3-[(hexyl-methyl-octyl-ammonio)methyl]-2,4,6-trimethyl-benzyl]-methyl-octyl-ammonium Formula: C41H80N2+2 MolecularWeight: 601.0873

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+](C)(CCCCCC)CC1=C(C(=C(C=C1C)C)C[N+](C)(CCCCCC)CCCCCCCC)C

Isomeric SMILES

CCCCCCCC[N+](C)(CCCCCC)CC1=C(C(=C(C=C1C)C)C[N+](C)(CCCCCC)CCCCCCCC)C

InChI

InChI=1S/C41H80N2/c1-10-14-18-22-24-28-32-42(8,30-26-20-16-12-3)35-40-37(5)34-38(6)41(39(40)7)36-43(9,31-27-21-17-13-4)33-29-25-23-19-15-11-2/h34H,10-33,35-36H2,1-9H3/q+2