1-butyl-3-(decoxymethyl)benzimidazol-3-ium

Systemtic Name: 1-butyl-3-(decoxymethyl)benzimidazol-3-ium Openeye Name: 1-butyl-3-(decoxymethyl)benzimidazol-3-ium CAS Name: 1-butyl-3-(decoxymethyl)benzimidazol-3-ium IUPAC Name: 1-butyl-3-(decoxymethyl)benzimidazol-3-ium Traditional Name: 1-butyl-3-(decoxymethyl)benzimidazol-3-ium Formula: C22H37N2O+ MolecularWeight: 345.54198

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC[N+]1=CN(C2=CC=CC=C21)CCCC

Isomeric SMILES

CCCCCCCCCCOC[N+]1=CN(C2=CC=CC=C21)CCCC

InChI

InChI=1S/C22H37N2O/c1-3-5-7-8-9-10-11-14-18-25-20-24-19-23(17-6-4-2)21-15-12-13-16-22(21)24/h12-13,15-16,19H,3-11,14,17-18,20H2,1-2H3/q+1