dihexadecyl-bis(phenylmethyl)azanium

Systemtic Name: dihexadecyl-bis(phenylmethyl)azanium Openeye Name: dibenzyl(dihexadecyl)ammonium CAS Name: dihexadecyl-bis(phenylmethyl)ammonium IUPAC Name: dibenzyl(dihexadecyl)azanium Traditional Name: dibenzyl(dicetyl)ammonium Formula: C46H80N+ MolecularWeight: 647.1341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CC1=CC=CC=C1)CC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](CCCCCCCCCCCCCCCC)(CC1=CC=CC=C1)CC2=CC=CC=C2

InChI

InChI=1S/C46H80N/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-35-41-47(43-45-37-31-29-32-38-45,44-46-39-33-30-34-40-46)42-36-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h29-34,37-40H,3-28,35-36,41-44H2,1-2H3/q+1