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

Systemtic Name: 3,5-dipropyl-1-[(4-pyridin-4-ylphenyl)methyl]-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 3,5-dipropyl-1-[[4-(4-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 3,5-dipropyl-1-[(4-pyridin-4-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 3,5-dipropyl-1-[(4-pyridin-4-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 3,5-dipropyl-1-[4-(4-pyridyl)benzyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C22H26N7O+ MolecularWeight: 404.48814

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=NC=C3)C4=NNN=N4)CCC

Isomeric SMILES

CCCC1=CN(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=NC=C3)C4=NNN=N4)CCC

InChI

InChI=1S/C22H26N7O/c1-3-5-20-15-28(14-4-2)22(30)29(20,21-24-26-27-25-21)16-17-6-8-18(9-7-17)19-10-12-23-13-11-19/h6-13,15H,3-5,14,16H2,1-2H3,(H,24,25,26,27)/q+1