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

Systemtic Name: 5-butyl-4-methyl-3-propyl-1-(4-pyridin-4-ylphenyl)-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 5-butyl-4-methyl-3-propyl-1-[4-(4-pyridyl)phenyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 5-butyl-4-methyl-3-propyl-1-(4-pyridin-4-ylphenyl)-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 5-butyl-4-methyl-3-propyl-1-(4-pyridin-4-ylphenyl)-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 5-butyl-4-methyl-3-propyl-1-[4-(4-pyridyl)phenyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C23H28N7O+ MolecularWeight: 418.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N7O/c1-4-6-7-21-17(3)29(16-5-2)23(31)30(21,22-25-27-28-26-22)20-10-8-18(9-11-20)19-12-14-24-15-13-19/h8-15H,4-7,16H2,1-3H3,(H,25,26,27,28)/q+1