3-butyl-4-chloranyl-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-butyl-4-chloranyl-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-butyl-4-chloro-5-propyl-1-[[4-(2-pyridyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one CAS Name: 3-butyl-4-chloro-5-propyl-1-[[4-(2-pyridinyl)phenyl]methyl]-1-(2H-tetrazol-5-yl)-2-imidazol-1-iumone IUPAC Name: 3-butyl-4-chloro-5-propyl-1-[(4-pyridin-2-ylphenyl)methyl]-1-(2H-tetrazol-5-yl)imidazol-1-ium-2-one Traditional Name: 3-butyl-4-chloro-5-propyl-1-[4-(2-pyridyl)benzyl]-1-(2H-tetrazol-5-yl)-4-imidazolin-1-ium-2-one Formula: C23H27ClN7O+ MolecularWeight: 452.95978

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C([N+](C1=O)(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)CCC)Cl

Isomeric SMILES

CCCCN1C(=C([N+](C1=O)(CC2=CC=C(C=C2)C3=CC=CC=N3)C4=NNN=N4)CCC)Cl

InChI

InChI=1S/C23H27ClN7O/c1-3-5-15-30-21(24)20(8-4-2)31(23(30)32,22-26-28-29-27-22)16-17-10-12-18(13-11-17)19-9-6-7-14-25-19/h6-7,9-14H,3-5,8,15-16H2,1-2H3,(H,26,27,28,29)/q+1