1-[12-(4-phenethylphenoxy)dodecyl]-4-phenyl-pyridin-1-ium bromide

Systemtic Name: 1-[12-(4-phenethylphenoxy)dodecyl]-4-phenyl-pyridin-1-ium bromide Openeye Name: 1-[12-(4-phenethylphenoxy)dodecyl]-4-phenyl-pyridin-1-ium bromide CAS Name: 1-[12-(4-phenethylphenoxy)dodecyl]-4-phenylpyridin-1-ium bromide IUPAC Name: 1-[12-(4-phenethylphenoxy)dodecyl]-4-phenylpyridin-1-ium bromide Traditional Name: 1-[12-(4-phenethylphenoxy)dodecyl]-4-phenyl-pyridin-1-ium bromide Formula: C37H46BrNO MolecularWeight: 600.67124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H46NO.BrH/c1(3-5-7-15-29-38-30-27-36(28-31-38)35-19-13-10-14-20-35)2-4-6-8-16-32-39-37-25-23-34(24-26-37)22-21-33-17-11-9-12-18-33;/h9-14,17-20,23-28,30-31H,1-8,15-16,21-22,29,32H2;1H/q+1;/p-1