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

Systemtic Name: 5-butyl-4-methyl-3-pentyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 5-butyl-4-methyl-3-pentyl-1-[[4-(2-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 5-butyl-4-methyl-3-pentyl-1-[[4-(2-pyridinyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 5-butyl-4-methyl-3-pentyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 3-amyl-5-butyl-4-methyl-1-[4-(2-pyridyl)benzyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C26H34N7O+ MolecularWeight: 460.59446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=C([N+](C1=O)(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)CCCC)C

Isomeric SMILES

CCCCCN1C(=C([N+](C1=O)(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)CCCC)C

InChI

InChI=1S/C26H34N7O/c1-4-6-10-18-32-20(3)24(12-7-5-2)33(26(32)34,25-28-30-31-29-25)19-21-13-15-22(16-14-21)23-11-8-9-17-27-23/h8-9,11,13-17H,4-7,10,12,18-19H2,1-3H3,(H,28,29,30,31)/q+1