1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydrobenzo[e]benzimidazol-1-ium bromide

Systemtic Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydrobenzo[e]benzimidazol-1-ium bromide Openeye Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydrobenzo[e]benzimidazol-1-ium bromide CAS Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydrobenzo[e]benzimidazol-1-ium bromide IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydrobenzo[e]benzimidazol-1-ium bromide Traditional Name: 1,3-dimesityl-4,5-dihydrobenzo[e]benzimidazol-1-ium bromide Formula: C29H31BrN2 MolecularWeight: 487.47384

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=[N+](C3=C2CCC4=CC=CC=C43)C5=C(C=C(C=C5C)C)C)C.[Br-]

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=[N+](C3=C2CCC4=CC=CC=C43)C5=C(C=C(C=C5C)C)C)C.[Br-]

InChI

InChI=1S/C29H31N2.BrH/c1-18-13-20(3)27(21(4)14-18)30-17-31(28-22(5)15-19(2)16-23(28)6)29-25-10-8-7-9-24(25)11-12-26(29)30;/h7-10,13-17H,11-12H2,1-6H3;1H/q+1;/p-1