1-[(4-chlorophenyl)methyl]-2,3,4,5,6-pentakis-phenyl-pyridin-1-ium bromide

Systemtic Name: 1-[(4-chlorophenyl)methyl]-2,3,4,5,6-pentakis-phenyl-pyridin-1-ium bromide Openeye Name: 1-[(4-chlorophenyl)methyl]-2,3,4,5,6-pentakis-phenyl-pyridin-1-ium bromide CAS Name: 1-[(4-chlorophenyl)methyl]-2,3,4,5,6-pentakis-phenylpyridin-1-ium bromide IUPAC Name: 1-[(4-chlorophenyl)methyl]-2,3,4,5,6-pentakis-phenylpyridin-1-ium bromide Traditional Name: 1-(4-chlorobenzyl)-2,3,4,5,6-pentakis-phenyl-pyridin-1-ium bromide Formula: C42H31BrClN MolecularWeight: 665.05924

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=[N+](C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl)C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=[N+](C(=C2C3=CC=CC=C3)C4=CC=CC=C4)CC5=CC=C(C=C5)Cl)C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

InChI

InChI=1S/C42H31ClN.BrH/c43-37-28-26-31(27-29-37)30-44-41(35-22-12-4-13-23-35)39(33-18-8-2-9-19-33)38(32-16-6-1-7-17-32)40(34-20-10-3-11-21-34)42(44)36-24-14-5-15-25-36;/h1-29H,30H2;1H/q+1;/p-1