3-(3-methylbutyl)-2-phenyl-1H-benzimidazol-3-ium

Systemtic Name: 3-(3-methylbutyl)-2-phenyl-1H-benzimidazol-3-ium Openeye Name: 3-isopentyl-2-phenyl-1H-benzimidazol-3-ium CAS Name: 3-(3-methylbutyl)-2-phenyl-1H-benzimidazol-3-ium IUPAC Name: 3-(3-methylbutyl)-2-phenyl-1H-benzimidazol-3-ium Traditional Name: 3-isoamyl-2-phenyl-1H-benzimidazol-3-ium Formula: C18H21N2+ MolecularWeight: 265.37274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=C(NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CC(C)CC[N+]1=C(NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2/c1-14(2)12-13-20-17-11-7-6-10-16(17)19-18(20)15-8-4-3-5-9-15/h3-11,14H,12-13H2,1-2H3/p+1