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

Systemtic Name: 3,5-dibutyl-1-[(4-pyridin-4-ylphenyl)methyl]-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 3,5-dibutyl-1-[[4-(4-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 3,5-dibutyl-1-[(4-pyridin-4-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 3,5-dibutyl-1-[(4-pyridin-4-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 3,5-dibutyl-1-[4-(4-pyridyl)benzyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C24H30N7O+ MolecularWeight: 432.5413

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CN(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=NC=C3)C4=NNN=N4)CCCC

Isomeric SMILES

CCCCC1=CN(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=NC=C3)C4=NNN=N4)CCCC

InChI

InChI=1S/C24H30N7O/c1-3-5-7-22-17-30(16-6-4-2)24(32)31(22,23-26-28-29-27-23)18-19-8-10-20(11-9-19)21-12-14-25-15-13-21/h8-15,17H,3-7,16,18H2,1-2H3,(H,26,27,28,29)/q+1