10-[3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-yl]decylazanium

Systemtic Name: 10-[3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-yl]decylazanium Openeye Name: 10-(3-isopentyl-1H-benzimidazol-3-ium-2-yl)decylammonium CAS Name: 10-[3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-yl]decylammonium IUPAC Name: 10-[3-(3-methylbutyl)-1H-benzimidazol-3-ium-2-yl]decylazanium Traditional Name: 10-(3-isoamyl-1H-benzimidazol-3-ium-2-yl)decylammonium Formula: C22H39N3+2 MolecularWeight: 345.56516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=C(NC2=CC=CC=C21)CCCCCCCCCC[NH3+]

Isomeric SMILES

CC(C)CC[N+]1=C(NC2=CC=CC=C21)CCCCCCCCCC[NH3+]

InChI

InChI=1S/C22H37N3/c1-19(2)16-18-25-21-14-11-10-13-20(21)24-22(25)15-9-7-5-3-4-6-8-12-17-23/h10-11,13-14,19H,3-9,12,15-18,23H2,1-2H3/p+2