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

Systemtic Name: 1-[(4-methylphenyl)methyl]-2,3,4,5,6-pentakis-phenyl-pyridin-1-ium bromide Openeye Name: 2,3,4,5,6-pentakis-phenyl-1-(p-tolylmethyl)pyridin-1-ium bromide CAS Name: 1-[(4-methylphenyl)methyl]-2,3,4,5,6-pentakis-phenylpyridin-1-ium bromide IUPAC Name: 1-[(4-methylphenyl)methyl]-2,3,4,5,6-pentakis-phenylpyridin-1-ium bromide Traditional Name: 1-(4-methylbenzyl)-2,3,4,5,6-pentakis-phenyl-pyridin-1-ium bromide Formula: C43H34BrN MolecularWeight: 644.64076

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=C(C(=C(C(=C2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6)C7=CC=CC=C7.[Br-]

InChI

InChI=1S/C43H34N.BrH/c1-32-27-29-33(30-28-32)31-44-42(37-23-13-5-14-24-37)40(35-19-9-3-10-20-35)39(34-17-7-2-8-18-34)41(36-21-11-4-12-22-36)43(44)38-25-15-6-16-26-38;/h2-30H,31H2,1H3;1H/q+1;/p-1