2-phenethyl-3-propyl-1H-benzimidazol-3-ium

Systemtic Name: 2-phenethyl-3-propyl-1H-benzimidazol-3-ium Openeye Name: 2-phenethyl-3-propyl-1H-benzimidazol-3-ium CAS Name: 2-phenethyl-3-propyl-1H-benzimidazol-3-ium IUPAC Name: 2-phenethyl-3-propyl-1H-benzimidazol-3-ium Traditional Name: 2-phenethyl-3-propyl-1H-benzimidazol-3-ium Formula: C18H21N2+ MolecularWeight: 265.37274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=C(NC2=CC=CC=C21)CCC3=CC=CC=C3

Isomeric SMILES

CCC[N+]1=C(NC2=CC=CC=C21)CCC3=CC=CC=C3

InChI

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