3-[2-butyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethyl-1-oxidanidyl-pyrazin-1-ium

Systemtic Name: 3-[2-butyl-1-[[4-[2-(2H-1,2,3,4-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethyl-1-oxidanidyl-pyrazin-1-ium Openeye Name: 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethyl-1-oxido-pyrazin-1-ium CAS Name: 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-4-imidazolyl]-2,5-dimethyl-1-oxidopyrazin-1-ium IUPAC Name: 3-[2-butyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]-2,5-dimethyl-1-oxidopyrazin-1-ium Traditional Name: 3-[2-butyl-1-[4-[2-(2H-tetrazol-5-yl)phenyl]benzyl]imidazol-4-yl]-2,5-dimethyl-1-oxido-pyrazin-1-ium Formula: C27H28N8O MolecularWeight: 480.56422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=NC(=C[N+](=C5C)[O-])C

Isomeric SMILES

CCCCC1=NC(=CN1CC2=CC=C(C=C2)C3=CC=CC=C3C4=NNN=N4)C5=NC(=C[N+](=C5C)[O-])C

InChI

InChI=1S/C27H28N8O/c1-4-5-10-25-29-24(26-19(3)35(36)15-18(2)28-26)17-34(25)16-20-11-13-21(14-12-20)22-8-6-7-9-23(22)27-30-32-33-31-27/h6-9,11-15,17H,4-5,10,16H2,1-3H3,(H,30,31,32,33)