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

Systemtic Name: 5-butyl-3,4-dimethyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 5-butyl-3,4-dimethyl-1-[[4-(2-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 5-butyl-3,4-dimethyl-1-[[4-(2-pyridinyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 5-butyl-3,4-dimethyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 5-butyl-3,4-dimethyl-1-[4-(2-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:

CCCCC1=C(N(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)C)C

Isomeric SMILES

CCCCC1=C(N(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)C)C

InChI

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