5-butyl-3-(phenylmethyl)-1-(4-pyridin-2-ylphenyl)-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one

Systemtic Name: 5-butyl-3-(phenylmethyl)-1-(4-pyridin-2-ylphenyl)-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 3-benzyl-5-butyl-1-[4-(2-pyridyl)phenyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 5-butyl-3-(phenylmethyl)-1-[4-(2-pyridinyl)phenyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 3-benzyl-5-butyl-1-(4-pyridin-2-ylphenyl)-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 3-benzyl-5-butyl-1-[4-(2-pyridyl)phenyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C26H26N7O+ MolecularWeight: 452.53094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=O)[N+]1(C2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)CC5=CC=CC=C5

Isomeric SMILES

CCCCC1=CN(C(=O)[N+]1(C2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)CC5=CC=CC=C5

InChI

InChI=1S/C26H26N7O/c1-2-3-11-23-19-32(18-20-9-5-4-6-10-20)26(34)33(23,25-28-30-31-29-25)22-15-13-21(14-16-22)24-12-7-8-17-27-24/h4-10,12-17,19H,2-3,11,18H2,1H3,(H,28,29,30,31)/q+1