2,6-didodecoxy-1-methyl-4-phenyl-pyridin-1-ium

Systemtic Name: 2,6-didodecoxy-1-methyl-4-phenyl-pyridin-1-ium Openeye Name: 2,6-didodecoxy-1-methyl-4-phenyl-pyridin-1-ium CAS Name: 2,6-didodecoxy-1-methyl-4-phenylpyridin-1-ium IUPAC Name: 2,6-didodecoxy-1-methyl-4-phenylpyridin-1-ium Traditional Name: 2,6-dilauryloxy-1-methyl-4-phenyl-pyridin-1-ium Formula: C36H60NO2+ MolecularWeight: 538.8671

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC(=CC(=[N+]1C)OCCCCCCCCCCCC)C2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCOC1=CC(=CC(=[N+]1C)OCCCCCCCCCCCC)C2=CC=CC=C2

InChI

InChI=1S/C36H60NO2/c1-4-6-8-10-12-14-16-18-20-25-29-38-35-31-34(33-27-23-22-24-28-33)32-36(37(35)3)39-30-26-21-19-17-15-13-11-9-7-5-2/h22-24,27-28,31-32H,4-21,25-26,29-30H2,1-3H3/q+1