1-octyl-2,4,6-triphenyl-pyridin-1-ium chloride

Systemtic Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium chloride Openeye Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium chloride CAS Name: 1-octyl-2,4,6-triphenylpyridin-1-ium chloride IUPAC Name: 1-octyl-2,4,6-triphenylpyridin-1-ium chloride Traditional Name: 1-octyl-2,4,6-triphenyl-pyridin-1-ium chloride Formula: C31H34ClN MolecularWeight: 456.06136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Isomeric SMILES

CCCCCCCC[N+]1=C(C=C(C=C1C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

InChI

InChI=1S/C31H34N.ClH/c1-2-3-4-5-6-16-23-32-30(27-19-12-8-13-20-27)24-29(26-17-10-7-11-18-26)25-31(32)28-21-14-9-15-22-28;/h7-15,17-22,24-25H,2-6,16,23H2,1H3;1H/q+1;/p-1