4-[[[3-(3-methylbutyl)-4-phenyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzenecarbonitrile

Systemtic Name: 4-[[[3-(3-methylbutyl)-4-phenyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzenecarbonitrile Openeye Name: 4-[[(3-isopentyl-4-phenyl-1H-imidazol-3-ium-2-yl)amino]methyl]benzonitrile CAS Name: 4-[[[3-(3-methylbutyl)-4-phenyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzonitrile IUPAC Name: 4-[[[3-(3-methylbutyl)-4-phenyl-1H-imidazol-3-ium-2-yl]amino]methyl]benzonitrile Traditional Name: 4-[[(3-isoamyl-4-phenyl-1H-imidazol-3-ium-2-yl)amino]methyl]benzonitrile Formula: C22H25N4+ MolecularWeight: 345.4607

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=C(NC=C1C2=CC=CC=C2)NCC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)CC[N+]1=C(NC=C1C2=CC=CC=C2)NCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C22H24N4/c1-17(2)12-13-26-21(20-6-4-3-5-7-20)16-25-22(26)24-15-19-10-8-18(14-23)9-11-19/h3-11,16-17H,12-13,15H2,1-2H3,(H,24,25)/p+1