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

Systemtic Name: 3-cyclohexyl-4-methyl-5-propyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-1,2,3,4-tetrazol-5-yl)imidazol-1-ium-2-one Openeye Name: 3-cyclohexyl-4-methyl-5-propyl-1-[[4-(2-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 3-cyclohexyl-4-methyl-5-propyl-1-[[4-(2-pyridinyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 3-cyclohexyl-4-methyl-5-propyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 3-cyclohexyl-4-methyl-5-propyl-1-[4-(2-pyridyl)benzyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C26H32N7O+ MolecularWeight: 458.57858

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(N(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)C5CCCCC5)C

Isomeric SMILES

CCCC1=C(N(C(=O)[N+]1(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)C5CCCCC5)C

InChI

InChI=1S/C26H32N7O/c1-3-9-24-19(2)32(22-10-5-4-6-11-22)26(34)33(24,25-28-30-31-29-25)18-20-13-15-21(16-14-20)23-12-7-8-17-27-23/h7-8,12-17,22H,3-6,9-11,18H2,1-2H3,(H,28,29,30,31)/q+1