1-(2-methoxyethyl)-2-methyl-3-(pyridin-3-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride

Systemtic Name: 1-(2-methoxyethyl)-2-methyl-3-(pyridin-3-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride Openeye Name: 1-(2-methoxyethyl)-2-methyl-3-(3-pyridylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride CAS Name: 1-(2-methoxyethyl)-2-methyl-3-(3-pyridinylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride IUPAC Name: 1-(2-methoxyethyl)-2-methyl-3-(pyridin-3-ylmethyl)benzo[f]benzimidazol-3-ium-4,9-dione chloride Traditional Name: 1-(2-methoxyethyl)-2-methyl-3-(3-pyridylmethyl)benzo[f]benzimidazol-3-ium-4,9-quinone chloride Formula: C21H20ClN3O3 MolecularWeight: 397.8548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=CN=CC=C4.[Cl-]

Isomeric SMILES

CC1=[N+](C2=C(N1CCOC)C(=O)C3=CC=CC=C3C2=O)CC4=CN=CC=C4.[Cl-]

InChI

InChI=1S/C21H20N3O3.ClH/c1-14-23(10-11-27-2)18-19(24(14)13-15-6-5-9-22-12-15)21(26)17-8-4-3-7-16(17)20(18)25;/h3-9,12H,10-11,13H2,1-2H3;1H/q+1;/p-1