1-[3-(4-phenethylphenoxy)propyl]-4-phenyl-pyridin-1-ium bromide

Systemtic Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenyl-pyridin-1-ium bromide Openeye Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenyl-pyridin-1-ium bromide CAS Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenylpyridin-1-ium bromide IUPAC Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenylpyridin-1-ium bromide Traditional Name: 1-[3-(4-phenethylphenoxy)propyl]-4-phenyl-pyridin-1-ium bromide Formula: C28H28BrNO MolecularWeight: 474.43202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H28NO.BrH/c1-3-8-24(9-4-1)12-13-25-14-16-28(17-15-25)30-23-7-20-29-21-18-27(19-22-29)26-10-5-2-6-11-26;/h1-6,8-11,14-19,21-22H,7,12-13,20,23H2;1H/q+1;/p-1