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

Systemtic Name: 2-butyl-7-methyl-1-[2-methyl-4-phenyl-3-(2H-1,2,3,4-tetrazol-5-yl)phenyl]-1-oxidanyl-benzimidazol-1-ium Openeye Name: 2-butyl-1-hydroxy-7-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-ium CAS Name: 2-butyl-1-hydroxy-7-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-ium IUPAC Name: 2-butyl-1-hydroxy-7-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]benzimidazol-1-ium Traditional Name: 2-butyl-1-hydroxy-7-methyl-1-[2-methyl-4-phenyl-3-(2H-tetrazol-5-yl)phenyl]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(C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)O)C

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2[N+]1(C3=C(C(=C(C=C3)C4=CC=CC=C4)C5=NNN=N5)C)O)C

InChI

InChI=1S/C26H27N6O/c1-4-5-14-23-27-21-13-9-10-17(2)25(21)32(23,33)22-16-15-20(19-11-7-6-8-12-19)24(18(22)3)26-28-30-31-29-26/h6-13,15-16,33H,4-5,14H2,1-3H3,(H,28,29,30,31)/q+1