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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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