2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methyl]-3H-imidazo[1,2-a]benzimidazol-4-ium

Systemtic Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methyl]-3H-imidazo[1,2-a]benzimidazol-4-ium Openeye Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methyl]-3H-imidazo[1,2-a]benzimidazol-4-ium CAS Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methyl]-3H-imidazo[1,2-a]benzimidazol-4-ium IUPAC Name: 2-(1,3-benzodioxol-5-yl)-4-[(4-tert-butylphenyl)methyl]-3H-imidazo[1,2-a]benzimidazol-4-ium Traditional Name: 2-(1,3-benzodioxol-5-yl)-4-(4-tert-butylbenzyl)-3H-imidazo[1,2-a]benzimidazol-4-ium Formula: C27H26N3O2+ MolecularWeight: 424.51424

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C3NC(=CN3C4=CC=CC=C42)C5=CC6=C(C=C5)OCO6

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C[N+]2=C3NC(=CN3C4=CC=CC=C42)C5=CC6=C(C=C5)OCO6

InChI

InChI=1S/C27H25N3O2/c1-27(2,3)20-11-8-18(9-12-20)15-29-22-6-4-5-7-23(22)30-16-21(28-26(29)30)19-10-13-24-25(14-19)32-17-31-24/h4-14,16H,15,17H2,1-3H3/p+1