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

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

CCCCCN1C(=C([N+](C1=O)(CC2=CC=C(C=C2)C3=CC=NC=C3)C4=NNN=N4)CCC)C

Isomeric SMILES

CCCCCN1C(=C([N+](C1=O)(CC2=CC=C(C=C2)C3=CC=NC=C3)C4=NNN=N4)CCC)C

InChI

InChI=1S/C25H32N7O/c1-4-6-7-17-31-19(3)23(8-5-2)32(25(31)33,24-27-29-30-28-24)18-20-9-11-21(12-10-20)22-13-15-26-16-14-22/h9-16H,4-8,17-18H2,1-3H3,(H,27,28,29,30)/q+1