5-pentyl-3-phenethyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one

Systemtic Name: 5-pentyl-3-phenethyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 5-pentyl-3-phenethyl-1-[[4-(2-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 5-pentyl-3-phenethyl-1-[[4-(2-pyridinyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 5-pentyl-3-phenethyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 5-amyl-3-phenethyl-1-[4-(2-pyridyl)benzyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C29H32N7O+ MolecularWeight: 494.61068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CN(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)CCC5=CC=CC=C5

Isomeric SMILES

CCCCCC1=CN(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)CCC5=CC=CC=C5

InChI

InChI=1S/C29H32N7O/c1-2-3-5-12-26-21-35(20-18-23-10-6-4-7-11-23)29(37)36(26,28-31-33-34-32-28)22-24-14-16-25(17-15-24)27-13-8-9-19-30-27/h4,6-11,13-17,19,21H,2-3,5,12,18,20,22H2,1H3,(H,31,32,33,34)/q+1