5-butyl-4-methyl-3-(3-methylbutyl)-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-(3-methylbutyl)-1-(4-pyridin-4-ylphenyl)-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 5-butyl-3-isopentyl-4-methyl-1-[4-(4-pyridyl)phenyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 5-butyl-4-methyl-3-(3-methylbutyl)-1-(4-pyridin-4-ylphenyl)-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 5-butyl-4-methyl-3-(3-methylbutyl)-1-(4-pyridin-4-ylphenyl)-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 5-butyl-3-isoamyl-4-methyl-1-[4-(4-pyridyl)phenyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C25H32N7O+ MolecularWeight: 446.56788

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C25H32N7O/c1-5-6-7-23-19(4)31(17-14-18(2)3)25(33)32(23,24-27-29-30-28-24)22-10-8-20(9-11-22)21-12-15-26-16-13-21/h8-13,15-16,18H,5-7,14,17H2,1-4H3,(H,27,28,29,30)/q+1