3-[(2-chloranylpyridin-3-yl)methyl]-1-(2-methoxyethyl)-2-methyl-benzo[f]benzimidazol-3-ium-4,9-dione

Systemtic Name: 3-[(2-chloranylpyridin-3-yl)methyl]-1-(2-methoxyethyl)-2-methyl-benzo[f]benzimidazol-3-ium-4,9-dione Openeye Name: 3-[(2-chloro-3-pyridyl)methyl]-1-(2-methoxyethyl)-2-methyl-benzo[f]benzimidazol-3-ium-4,9-dione CAS Name: 3-[(2-chloro-3-pyridinyl)methyl]-1-(2-methoxyethyl)-2-methylbenzo[f]benzimidazol-3-ium-4,9-dione IUPAC Name: 3-[(2-chloropyridin-3-yl)methyl]-1-(2-methoxyethyl)-2-methylbenzo[f]benzimidazol-3-ium-4,9-dione Traditional Name: 3-[(2-chloro-3-pyridyl)methyl]-1-(2-methoxyethyl)-2-methyl-benzo[f]benzimidazol-3-ium-4,9-quinone Formula: C21H19ClN3O3+ MolecularWeight: 396.84686

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=C(N=CC=C4)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN3O3/c1-13-24(10-11-28-2)17-18(25(13)12-14-6-5-9-23-21(14)22)20(27)16-8-4-3-7-15(16)19(17)26/h3-9H,10-12H2,1-2H3/q+1