3-cyclohexyl-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-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-5-propyl-1-[[4-(2-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 3-cyclohexyl-5-propyl-1-[[4-(2-pyridinyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 3-cyclohexyl-5-propyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 3-cyclohexyl-5-propyl-1-[4-(2-pyridyl)benzyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C25H30N7O+ MolecularWeight: 444.552

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30N7O/c1-2-8-22-17-31(21-9-4-3-5-10-21)25(33)32(22,24-27-29-30-28-24)18-19-12-14-20(15-13-19)23-11-6-7-16-26-23/h6-7,11-17,21H,2-5,8-10,18H2,1H3,(H,27,28,29,30)/q+1