1-[9-(4-phenethylphenoxy)nonyl]-4-phenyl-pyridin-1-ium bromide

Systemtic Name: 1-[9-(4-phenethylphenoxy)nonyl]-4-phenyl-pyridin-1-ium bromide Openeye Name: 1-[9-(4-phenethylphenoxy)nonyl]-4-phenyl-pyridin-1-ium bromide CAS Name: 1-[9-(4-phenethylphenoxy)nonyl]-4-phenylpyridin-1-ium bromide IUPAC Name: 1-[9-(4-phenethylphenoxy)nonyl]-4-phenylpyridin-1-ium bromide Traditional Name: 1-[9-(4-phenethylphenoxy)nonyl]-4-phenyl-pyridin-1-ium bromide Formula: C34H40BrNO MolecularWeight: 558.5915

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=CC=C(C=C2)OCCCCCCCCC[N+]3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)CCC2=CC=C(C=C2)OCCCCCCCCC[N+]3=CC=C(C=C3)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C34H40NO.BrH/c1(2-4-12-26-35-27-24-33(25-28-35)32-16-10-7-11-17-32)3-5-13-29-36-34-22-20-31(21-23-34)19-18-30-14-8-6-9-15-30;/h6-11,14-17,20-25,27-28H,1-5,12-13,18-19,26,29H2;1H/q+1;/p-1