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

Systemtic Name: [3-[[dihexyl(methyl)azaniumyl]methyl]-2,4,6-trimethyl-phenyl]methyl-dihexyl-methyl-azanium Openeye Name: [3-[[dihexyl(methyl)ammonio]methyl]-2,4,6-trimethyl-phenyl]methyl-dihexyl-methyl-ammonium CAS Name: [3-[[dihexyl(methyl)ammonio]methyl]-2,4,6-trimethylphenyl]methyl-dihexyl-methylammonium IUPAC Name: [3-[[dihexyl(methyl)azaniumyl]methyl]-2,4,6-trimethylphenyl]methyl-dihexyl-methylazanium Traditional Name: [3-[[dihexyl(methyl)ammonio]methyl]-2,4,6-trimethyl-benzyl]-dihexyl-methyl-ammonium Formula: C37H72N2+2 MolecularWeight: 544.98098

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H72N2/c1-10-14-18-22-26-38(8,27-23-19-15-11-2)31-36-33(5)30-34(6)37(35(36)7)32-39(9,28-24-20-16-12-3)29-25-21-17-13-4/h30H,10-29,31-32H2,1-9H3/q+2