2-butyl-7-methyl-1-oxidanyl-1-[[3-phenyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium

Systemtic Name: 2-butyl-7-methyl-1-oxidanyl-1-[[3-phenyl-2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium Openeye Name: 2-butyl-1-hydroxy-7-methyl-1-[[3-phenyl-2-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium CAS Name: 2-butyl-1-hydroxy-7-methyl-1-[[3-phenyl-2-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium IUPAC Name: 2-butyl-1-hydroxy-7-methyl-1-[[3-phenyl-2-(2H-tetrazol-5-yl)phenyl]methyl]benzimidazol-1-ium Traditional Name: 2-butyl-1-hydroxy-7-methyl-1-[3-phenyl-2-(2H-tetrazol-5-yl)benzyl]benzimidazol-1-ium Formula: C26H27N6O+ MolecularWeight: 439.53218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2[N+]1(CC3=CC=CC(=C3C4=NNN=N4)C5=CC=CC=C5)O)C

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2[N+]1(CC3=CC=CC(=C3C4=NNN=N4)C5=CC=CC=C5)O)C

InChI

InChI=1S/C26H27N6O/c1-3-4-16-23-27-22-15-8-10-18(2)25(22)32(23,33)17-20-13-9-14-21(19-11-6-5-7-12-19)24(20)26-28-30-31-29-26/h5-15,33H,3-4,16-17H2,1-2H3,(H,28,29,30,31)/q+1