2-(3,4-dimethoxyphenyl)-3-propyl-1H-benzimidazol-3-ium

Systemtic Name: 2-(3,4-dimethoxyphenyl)-3-propyl-1H-benzimidazol-3-ium Openeye Name: 2-(3,4-dimethoxyphenyl)-3-propyl-1H-benzimidazol-3-ium CAS Name: 2-(3,4-dimethoxyphenyl)-3-propyl-1H-benzimidazol-3-ium IUPAC Name: 2-(3,4-dimethoxyphenyl)-3-propyl-1H-benzimidazol-3-ium Traditional Name: 2-(3,4-dimethoxyphenyl)-3-propyl-1H-benzimidazol-3-ium Formula: C18H21N2O2+ MolecularWeight: 297.37154

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O2/c1-4-11-20-15-8-6-5-7-14(15)19-18(20)13-9-10-16(21-2)17(12-13)22-3/h5-10,12H,4,11H2,1-3H3/p+1