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

Systemtic Name: 2-[2-butyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-yl]-1,3-benzoxazole Openeye Name: 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-yl]-1,3-benzoxazole CAS Name: 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1-benzimidazol-1-iumyl]-1,3-benzoxazole IUPAC Name: 2-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]benzimidazol-1-ium-1-yl]-1,3-benzoxazole Traditional Name: 2-[2-butyl-1-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]benzimidazol-1-ium-1-yl]-1,3-benzoxazole Formula: C32H28N7O+ MolecularWeight: 526.61102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C6=NC7=CC=CC=C7O6

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2[N+]1(CC3=CC=C(C=C3)C4=CC=CC=C4C5=NNN=N5)C6=NC7=CC=CC=C7O6

InChI

InChI=1S/C32H28N7O/c1-2-3-16-30-33-26-12-6-8-14-28(26)39(30,32-34-27-13-7-9-15-29(27)40-32)21-22-17-19-23(20-18-22)24-10-4-5-11-25(24)31-35-37-38-36-31/h4-15,17-20H,2-3,16,21H2,1H3,(H,35,36,37,38)/q+1