5-butyl-3-propan-2-yl-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-propan-2-yl-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-isopropyl-1-[[4-(2-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 5-butyl-3-propan-2-yl-1-[[4-(2-pyridinyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 5-butyl-3-propan-2-yl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 5-butyl-3-isopropyl-1-[4-(2-pyridyl)benzyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C23H28N7O+ MolecularWeight: 418.51472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N7O/c1-4-5-8-20-15-29(17(2)3)23(31)30(20,22-25-27-28-26-22)16-18-10-12-19(13-11-18)21-9-6-7-14-24-21/h6-7,9-15,17H,4-5,8,16H2,1-3H3,(H,25,26,27,28)/q+1